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

Systemtic Name: 3-azanyl-9-(3-methoxy-4-oxidanyl-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-amino-9-(4-hydroxy-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-amino-9-(4-hydroxy-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-amino-9-(4-hydroxy-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-amino-9-(4-hydroxy-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C20H17N3O3 MolecularWeight: 347.36728

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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)N)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-26-19-9-12(3-7-18(19)24)11-2-5-14-16(8-11)22-15-6-4-13(21)10-17(15)23-20(14)25/h2-10,22,24H,21H2,1H3,(H,23,25)