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

Systemtic Name: N-(4-acetamidophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N5O2/c1-18(29)25-21-7-9-22(10-8-21)26-23(30)17-28-12-2-11-27(13-14-28)16-20-5-3-19(15-24)4-6-20/h3-10H,2,11-14,16-17H2,1H3,(H,25,29)(H,26,30)