3-[[4-(cyclohexylmethyl)-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(cyclohexylmethyl)-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(cyclohexylmethyl)-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(CC1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H27N3O/c21-14-18-7-4-8-19(13-18)15-22-10-9-20(24)23(12-11-22)16-17-5-2-1-3-6-17/h4,7-8,13,17H,1-3,5-6,9-12,15-16H2