N-(1-cyanocyclohexyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-methylacetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N)C3(CCCCC3)C#N

InChI

InChI=1S/C23H31N5O/c1-26(23(19-25)10-3-2-4-11-23)22(29)18-28-13-5-12-27(14-15-28)17-21-8-6-20(16-24)7-9-21/h6-9H,2-5,10-15,17-18H2,1H3