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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoro-1-oxoethyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H25F3N2O4 MolecularWeight: 522.51501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C(F)(F)F)OC

InChI

InChI=1S/C29H25F3N2O4/c1-37-24-13-12-18(16-25(24)38-2)27-26-21(14-19(15-23(26)35)17-8-4-3-5-9-17)33-20-10-6-7-11-22(20)34(27)28(36)29(30,31)32/h3-13,16,19,27,33H,14-15H2,1-2H3