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

Systemtic Name: 2-(4-methoxyphenyl)-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]acetamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)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)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H36N6O4/c1-41-26-6-3-23(4-7-26)21-29(38)34-27-22-25(31(40)37-17-13-33-14-18-37)5-8-28(27)35-15-2-16-36(20-19-35)30(39)24-9-11-32-12-10-24/h3-12,22,33H,2,13-21H2,1H3,(H,34,38)