3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(pyridin-4-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(pyridin-4-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(4-pyridylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(4-pyridylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C27H22N4O6 MolecularWeight: 498.48678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OCC5=CC=NC=C5)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OCC5=CC=NC=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H22N4O6/c1-35-24-12-18(4-6-23(24)31(33)34)17-3-5-19-20(11-17)29-21-14-26(37-15-16-7-9-28-10-8-16)25(36-2)13-22(21)30-27(19)32/h3-14,29H,15H2,1-2H3,(H,30,32)