4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-(4-m-anisoylpiperazino)phenyl]benzamide Formula: C32H34N6O4 MolecularWeight: 566.65016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H34N6O4/c1-42-27-5-2-4-25(20-27)31(40)38-18-16-36(17-19-38)29-11-10-26(32(41)37-14-3-12-34-13-15-37)21-28(29)35-30(39)24-8-6-23(22-33)7-9-24/h2,4-11,20-21,34H,3,12-19H2,1H3,(H,35,39)