6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-(p-tolyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-(p-tolyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C2

InChI

InChI=1S/C27H25ClN2O3/c1-15-7-9-16(10-8-15)17-12-22-25(23(31)13-17)26(30-21-6-4-3-5-20(21)29-22)18-11-19(28)27(32)24(14-18)33-2/h3-11,14,17,26,29-30,32H,12-13H2,1-2H3