6-(6-chloranyl-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(6-chloranyl-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C29H27ClN2O6 MolecularWeight: 534.98748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Cl)OCO6)C(=O)C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Cl)OCO6)C(=O)C2

InChI

InChI=1S/C29H27ClN2O6/c1-34-25-10-16(11-26(35-2)29(25)36-3)15-8-21-27(22(33)9-15)28(32-20-7-5-4-6-19(20)31-21)17-12-23-24(13-18(17)30)38-14-37-23/h4-7,10-13,15,28,31-32H,8-9,14H2,1-3H3