4-[(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N3O/c21-15-17-7-9-18(10-8-17)16-22-11-4-12-23(14-13-22)20(24)19-5-2-1-3-6-19/h7-10,19H,1-6,11-14,16H2