prop-2-ynyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: prop-2-ynyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: prop-2-ynyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-fluoro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid propargyl ester Formula: C16H12FN3O3 MolecularWeight: 313.283183

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)OCC#C

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)OCC#C

InChI

InChI=1S/C16H12FN3O3/c1-3-6-23-16(22)14-13-8-19(2)15(21)11-7-10(17)4-5-12(11)20(13)9-18-14/h1,4-5,7,9H,6,8H2,2H3