2-(4-methoxyphenyl)-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]acetamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H36N6O4/c1-41-26-8-5-23(6-9-26)20-29(38)34-27-21-24(30(39)37-16-12-32-13-17-37)7-10-28(27)35-14-3-15-36(19-18-35)31(40)25-4-2-11-33-22-25/h2,4-11,21-22,32H,3,12-20H2,1H3,(H,34,38)