ethyl 5-methyl-6-oxidanylidene-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 5-methyl-6-oxidanylidene-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-methyl-6-oxo-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-oxo-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(C(=O)C3=C(C=CC=C3N2C=N1)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=O)C3=C(C=CC=C3N2C=N1)C(F)(F)F)C

InChI

InChI=1S/C16H14F3N3O3/c1-3-25-15(24)13-11-7-21(2)14(23)12-9(16(17,18)19)5-4-6-10(12)22(11)8-20-13/h4-6,8H,3,7H2,1-2H3