N-(2-acetamidoethyl)-9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-(2-acetamidoethyl)-9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-(2-acetamidoethyl)-9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O5/c1-14(30)26-9-10-27-24(32)17-4-7-19-21(12-17)29-25(33)18-6-3-15(11-20(18)28-19)16-5-8-22(31)23(13-16)34-2/h3-8,11-13,28,31H,9-10H2,1-2H3,(H,26,30)(H,27,32)(H,29,33)