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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)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)N3CCCNCC3)N4CCN(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)N3CCCNCC3)N4CCN(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)36-13-4-11-32-12-14-36)6-8-26(25)35-15-17-37(18-16-35)31(40)24-5-3-10-33-21-24/h3,5-10,19-21,32H,4,11-18H2,1-2H3,(H,34,38)