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

Systemtic Name: 6-(6-chloranyl-1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=O)C3C(NC4=CC=CC=C4NC3=C2)C5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

COC1=CC=CC(=C1)C2CC(=O)C3C(NC4=CC=CC=C4NC3=C2)C5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C27H23ClN2O4/c1-32-17-6-4-5-15(9-17)16-10-22-26(23(31)11-16)27(30-21-8-3-2-7-20(21)29-22)18-12-24-25(13-19(18)28)34-14-33-24/h2-10,12-13,16,26-27,29-30H,11,14H2,1H3