ethyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3