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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-cyclohexylacetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-cyclohexyl-acetamide Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H30N4O/c22-15-18-7-9-19(10-8-18)16-24-11-4-12-25(14-13-24)17-21(26)23-20-5-2-1-3-6-20/h7-10,20H,1-6,11-14,16-17H2,(H,23,26)