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

Systemtic Name: ethyl (4R)-8-ethynyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl (4R)-8-ethynyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: (4R)-8-ethynyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-8-ethynyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: (4R)-8-ethynyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C2[C@H](N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H19N3O2/c1-4-16-11-12-19-18(13-16)20(17-9-7-6-8-10-17)25-15(3)22-21(23(27)28-5-2)24-14-26(19)22/h1,6-15H,5H2,2-3H3/t15-/m1/s1