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

Systemtic Name: 3,4-dimethoxy-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-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=CC=NC=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=CC=NC=C5)OC

InChI

InChI=1S/C31H36N6O5/c1-41-27-7-5-23(21-28(27)42-2)29(38)34-25-20-24(31(40)37-16-12-33-13-17-37)4-6-26(25)35-14-3-15-36(19-18-35)30(39)22-8-10-32-11-9-22/h4-11,20-21,33H,3,12-19H2,1-2H3,(H,34,38)