9-(1,3-benzodioxol-5-yl)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(1,3-benzodioxol-5-yl)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(1,3-benzodioxol-5-yl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(1,3-benzodioxol-5-yl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(1,3-benzodioxol-5-yl)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N2O6/c1-33-24-12-17(13-25(34-2)28(24)32)27-26-20(29-18-5-3-4-6-19(18)30-27)9-16(10-21(26)31)15-7-8-22-23(11-15)36-14-35-22/h3-9,11-13,16,26-27,29-30,32H,10,14H2,1-2H3