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

Systemtic Name: 9-(4-azanyl-3-methoxy-phenyl)-3-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-amino-3-methoxy-phenyl)-3-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-amino-3-methoxyphenyl)-3-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-amino-3-methoxyphenyl)-3-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-amino-3-methoxy-phenyl)-3-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)N)OC)C(=O)N2

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)N)OC)C(=O)N2

InChI

InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)