ethyl 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-cyano-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H17FN4O2 MolecularWeight: 388.394383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN=C(C3=C(N2C(=N1)C)C=CC(=C3)C#N)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C2CN=C(C3=C(N2C(=N1)C)C=CC(=C3)C#N)C4=CC=CC=C4F

InChI

InChI=1S/C22H17FN4O2/c1-3-29-22(28)21-19-12-25-20(15-6-4-5-7-17(15)23)16-10-14(11-24)8-9-18(16)27(19)13(2)26-21/h4-10H,3,12H2,1-2H3