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

Systemtic Name: ethyl 5-methyl-6-oxidanylidene-8-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-methyl-6-oxo-8-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-8-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-oxo-8-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-8-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3