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

Systemtic Name: ethyl 5-[(2,4-dimethoxyphenyl)methyl]-8-fluoranyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-(2,4-dimethoxybenzyl)-8-fluoro-6-keto-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)CC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)CC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H22FN3O5/c1-4-32-23(29)21-19-12-26(11-14-5-7-16(30-2)10-20(14)31-3)22(28)17-9-15(24)6-8-18(17)27(19)13-25-21/h5-10,13H,4,11-12H2,1-3H3