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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-3-methoxy-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-3-methoxy-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-3-methoxybenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-3-methoxybenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoyl-1,4-diazepan-1-yl)phenyl]-3-methoxy-benzamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H36N6O4/c1-41-26-8-2-6-23(20-26)29(38)34-27-21-24(30(39)36-14-4-12-32-13-17-36)9-10-28(27)35-15-5-16-37(19-18-35)31(40)25-7-3-11-33-22-25/h2-3,6-11,20-22,32H,4-5,12-19H2,1H3,(H,34,38)