9-(3-methoxy-4-oxidanyl-phenyl)-3-(3-oxidanylpyrrolidin-1-yl)carbonyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-3-(3-oxidanylpyrrolidin-1-yl)carbonyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-(3-hydroxypyrrolidine-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-3-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxypyrrolidine-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-(3-hydroxypyrrolidine-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)N5CCC(C5)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)N5CCC(C5)O)O

InChI

InChI=1S/C25H23N3O5/c1-33-23-12-15(4-7-22(23)30)14-2-5-18-20(10-14)26-19-6-3-16(11-21(19)27-24(18)31)25(32)28-9-8-17(29)13-28/h2-7,10-12,17,26,29-30H,8-9,13H2,1H3,(H,27,31)