(E)-N-(4-acetamidophenyl)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(4-acetamidophenyl)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-3-[4-(1-azepanyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-3-[4-(azepan-1-yl)phenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-3-[4-(azepan-1-yl)phenyl]-2-cyano-acrylamide Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N

InChI

InChI=1S/C24H26N4O2/c1-18(29)26-21-8-10-22(11-9-21)27-24(30)20(17-25)16-19-6-12-23(13-7-19)28-14-4-2-3-5-15-28/h6-13,16H,2-5,14-15H2,1H3,(H,26,29)(H,27,30)/b20-16+