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Murcko scaffold

1-Benzyl-1,4-diazepane scaffold

197 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
14
Chemicals
197
With full pages
28
Scaffold SMILES

c1ccc(CN2CCCNCC2)cc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 1-Benzyl-1,4-diazepane page
Murcko scaffold c1ccc(CN2CCCNCC2)cc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 49 to 96 of 197 chemicals

1-[(3-Bromophenyl)methyl]-1,4-diazepane chemical structure, C12H17BrN2, CAS 953881-98-6
1-[(3-Bromophenyl)methyl]-1,4-diazepane
CAS 953881-98-6C12H17BrN2
1-Benzyl-1,4-diazepane dihydrochloride chemical structure, C12H20Cl2N2, CAS 199672-26-9
1-Benzyl-1,4-diazepane dihydrochloride
CAS 199672-26-9C12H20Cl2N2
1-(4-Fluorobenzyl)-[1,4]diazepane dihydrochloride chemical structure, C12H19Cl2FN2, CAS 199672-23-6
1-(4-Fluorobenzyl)-[1,4]diazepane dihydrochloride
CAS 199672-23-6C12H19Cl2FN2
{4-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methanamine chemical structure, C14H23N3, CAS 884507-52-2
{4-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methanamine
CAS 884507-52-2C14H23N3
3-(4-Benzyl-1,4-diazepan-1-yl)propanoic acid chemical structure, C15H22N2O2, CAS 874801-03-3
3-(4-Benzyl-1,4-diazepan-1-yl)propanoic acid
CAS 874801-03-3C15H22N2O2
1-(3-Chlorobenzyl)-1,4-diazepane chemical structure, C12H17ClN2, CAS 686260-62-8
1-(3-Chlorobenzyl)-1,4-diazepane
CAS 686260-62-8C12H17ClN2
1-[(4-tert-Butylphenyl)methyl]-1,4-diazepane chemical structure, C16H26N2, CAS 1019109-90-0
1-[(4-tert-Butylphenyl)methyl]-1,4-diazepane
CAS 1019109-90-0C16H26N2
1-((2-Fluorophenyl)methyl)-1,4-diazepane chemical structure, C12H17FN2, CAS 775561-26-7
1-((2-Fluorophenyl)methyl)-1,4-diazepane
CAS 775561-26-7C12H17FN2
1-[(2-Bromophenyl)methyl]-1,4-diazepane chemical structure, C12H17BrN2, CAS 1016516-79-2
1-[(2-Bromophenyl)methyl]-1,4-diazepane
CAS 1016516-79-2C12H17BrN2
1-[(2-Chloro-4-fluorophenyl)methyl]-1,4-diazepane chemical structure, C12H16ClFN2, CAS 1016683-03-6
1-[(2-Chloro-4-fluorophenyl)methyl]-1,4-diazepane
CAS 1016683-03-6C12H16ClFN2
1-[(2-Nitrophenyl)methyl]-1,4-diazepane chemical structure, C12H17N3O2, CAS 1016765-33-5
1-[(2-Nitrophenyl)methyl]-1,4-diazepane
CAS 1016765-33-5C12H17N3O2
1-[(3-Nitrophenyl)methyl]-1,4-diazepane chemical structure, C12H17N3O2, CAS 1016703-63-1
1-[(3-Nitrophenyl)methyl]-1,4-diazepane
CAS 1016703-63-1C12H17N3O2
1-{[4-(Trifluoromethoxy)phenyl]methyl}-1,4-diazepane chemical structure, C13H17F3N2O, CAS 1016704-67-8
1-{[4-(Trifluoromethoxy)phenyl]methyl}-1,4-diazepane
CAS 1016704-67-8C13H17F3N2O
2-(1,4-Diazepan-1-ylmethyl)benzonitrile chemical structure, C13H17N3, CAS 1016677-87-4
2-(1,4-Diazepan-1-ylmethyl)benzonitrile
CAS 1016677-87-4C13H17N3
1-{[3-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane chemical structure, C13H17F3N2, CAS 552868-13-0
1-{[3-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane
CAS 552868-13-0C13H17F3N2
1-(4-Benzyl-1,4-diazepan-1-yl)ethan-1-one chemical structure, C14H20N2O, CAS 192869-86-6
1-(4-Benzyl-1,4-diazepan-1-yl)ethan-1-one
CAS 192869-86-6C14H20N2O
1-(3,4-Dichlorobenzyl)-1,4-diazepane chemical structure, C12H16Cl2N2, CAS 78251-53-3
1-(3,4-Dichlorobenzyl)-1,4-diazepane
CAS 78251-53-3C12H16Cl2N2
4-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzaldehyde chemical structure, C14H20N2O, CAS 884507-48-6
4-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CAS 884507-48-6C14H20N2O
(4-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanol chemical structure, C14H22N2O, CAS 884507-50-0
(4-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanol
CAS 884507-50-0C14H22N2O
N-Methyl-1-(4-((4-methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine chemical structure, C15H25N3, CAS 884507-55-5
N-Methyl-1-(4-((4-methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine
CAS 884507-55-5C15H25N3
(3-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine chemical structure, C14H23N3, CAS 915707-48-1
(3-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine
CAS 915707-48-1C14H23N3
3-[(4-Methyl-1,4-diazepan-1-yl)methyl]aniline chemical structure, C13H21N3, CAS 915707-49-2
3-[(4-Methyl-1,4-diazepan-1-yl)methyl]aniline
CAS 915707-49-2C13H21N3
3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitrile chemical structure, C14H19N3, CAS 910036-91-8
3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitrile
CAS 910036-91-8C14H19N3
4-[(4-Methyl-1,4-diazepan-1-yl)methyl]aniline chemical structure, C13H21N3, CAS 884507-53-3
4-[(4-Methyl-1,4-diazepan-1-yl)methyl]aniline
CAS 884507-53-3C13H21N3