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

Systemtic Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-[2-(4-pyridyl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-[2-(4-pyridyl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C28H24N4O5 MolecularWeight: 496.51396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1CCC3=CC=NC=C3)NC4=C(C=CC(=C4)C5=CC(=C(C=C5)[N+](=O)[O-])OC)C(=O)N2

Isomeric SMILES

COC1=CC2=C(C=C1CCC3=CC=NC=C3)NC4=C(C=CC(=C4)C5=CC(=C(C=C5)[N+](=O)[O-])OC)C(=O)N2

InChI

InChI=1S/C28H24N4O5/c1-36-26-16-24-23(14-20(26)4-3-17-9-11-29-12-10-17)30-22-13-18(5-7-21(22)28(33)31-24)19-6-8-25(32(34)35)27(15-19)37-2/h5-16,30H,3-4H2,1-2H3,(H,31,33)