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

Systemtic Name: ethyl 1-tert-butyl-8-chloranyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 1-tert-butyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 1-tert-butyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 1-tert-butyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H23ClFN3O2 MolecularWeight: 439.909723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClFN3O2/c1-5-31-22(30)21-19-13-27-20(15-8-6-7-9-17(15)26)16-12-14(25)10-11-18(16)29(19)23(28-21)24(2,3)4/h6-12H,5,13H2,1-4H3