ethyl (4S)-8-ethynyl-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl (4S)-8-ethynyl-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl (4S)-8-ethynyl-4-methyl-6-(2-pyridyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: (4S)-8-ethynyl-4-methyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-8-ethynyl-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: (4S)-8-ethynyl-4-methyl-6-(2-pyridyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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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=N4)C

Isomeric SMILES

CCOC(=O)C1=C2[C@@H](N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4)C

InChI

InChI=1S/C22H18N4O2/c1-4-15-9-10-18-16(12-15)19(17-8-6-7-11-23-17)25-14(3)21-20(22(27)28-5-2)24-13-26(18)21/h1,6-14H,5H2,2-3H3/t14-/m0/s1