N-[9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide

Systemtic Name: N-[9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide Openeye Name: N-[9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide CAS Name: N-[9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide IUPAC Name: N-[9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Traditional Name: N-[9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)O)OC)C(=O)N2

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)O)OC)C(=O)N2

InChI

InChI=1S/C22H19N3O4/c1-12(26)23-15-5-7-17-19(11-15)25-22(28)16-6-3-13(9-18(16)24-17)14-4-8-20(27)21(10-14)29-2/h3-11,24,27H,1-2H3,(H,23,26)(H,25,28)