6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-(2,2,2-trifluoro-1-oxoethyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H24ClF3N2O4 MolecularWeight: 556.96007

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=C(C=C5)Cl)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=C(C=C5)Cl)C(=O)C2)OC

InChI

InChI=1S/C29H24ClF3N2O4/c1-38-24-12-9-17(15-25(24)39-2)18-13-21-26(23(36)14-18)27(16-7-10-19(30)11-8-16)35(28(37)29(31,32)33)22-6-4-3-5-20(22)34-21/h3-12,15,18,27,34H,13-14H2,1-2H3