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

Systemtic Name: 9-(3,4-dichlorophenyl)-6-(4-methylphenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(3,4-dichlorophenyl)-6-(p-tolyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(3,4-dichlorophenyl)-6-(4-methylphenyl)-5-(2,2,2-trifluoro-1-oxoethyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(3,4-dichlorophenyl)-6-(4-methylphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(3,4-dichlorophenyl)-6-(p-tolyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H21Cl2F3N2O2 MolecularWeight: 545.37975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)Cl)Cl)NC5=CC=CC=C5N2C(=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)Cl)Cl)NC5=CC=CC=C5N2C(=O)C(F)(F)F

InChI

InChI=1S/C28H21Cl2F3N2O2/c1-15-6-8-16(9-7-15)26-25-22(13-18(14-24(25)36)17-10-11-19(29)20(30)12-17)34-21-4-2-3-5-23(21)35(26)27(37)28(31,32)33/h2-12,18,26,34H,13-14H2,1H3