ethyl 6-oxidanylidene-5-prop-2-enyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-5-prop-2-enyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-allyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 6-oxo-5-prop-2-enyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-5-prop-2-enyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-allyl-6-keto-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-3-9-19-10-14-15(17(22)23-4-2)18-11-20(14)13-8-6-5-7-12(13)16(19)21/h3,5-8,11H,1,4,9-10H2,2H3