2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O2/c1-18(28)21-4-2-5-22(14-21)25-23(29)17-27-11-3-10-26(12-13-27)16-20-8-6-19(15-24)7-9-20/h2,4-9,14H,3,10-13,16-17H2,1H3,(H,25,29)