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

Systemtic Name: 3,4-dimethoxy-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C31H36N6O5 MolecularWeight: 572.65474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N6O5/c1-41-27-9-7-22(20-28(27)42-2)29(38)34-25-19-23(30(39)37-15-11-32-12-16-37)6-8-26(25)35-13-4-14-36(18-17-35)31(40)24-5-3-10-33-21-24/h3,5-10,19-21,32H,4,11-18H2,1-2H3,(H,34,38)