methyl 2,3-bis(oxidanylidene)-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate

Systemtic Name: methyl 2,3-bis(oxidanylidene)-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate Openeye Name: methyl 2,3-dioxo-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate CAS Name: 2,3-dioxo-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylic acid methyl ester IUPAC Name: methyl 2,3-dioxo-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate Traditional Name: 2,3-diketo-4-phenyl-1-[3-(trifluoromethyl)phenyl]-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylic acid methyl ester Formula: C26H18F3N3O4 MolecularWeight: 493.43403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12C(=C(NC3=CC=CC=C3N1)C4=CC=CC=C4)C(=O)C(=O)N2C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

COC(=O)C12C(=C(NC3=CC=CC=C3N1)C4=CC=CC=C4)C(=O)C(=O)N2C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H18F3N3O4/c1-36-24(35)25-20(22(33)23(34)32(25)17-11-7-10-16(14-17)26(27,28)29)21(15-8-3-2-4-9-15)30-18-12-5-6-13-19(18)31-25/h2-14,30-31H,1H3