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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)phenyl]-2-(4-methoxyphenyl)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)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(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)36-14-3-12-32-13-15-36)7-10-28(27)35-16-18-37(19-17-35)31(40)25-4-2-11-33-22-25/h2,4-11,21-22,32H,3,12-20H2,1H3,(H,34,38)