8-ethynyl-N-(2-methoxyethyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 8-ethynyl-N-(2-methoxyethyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N-(2-methoxyethyl)-6-(2-pyridyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N-(2-methoxyethyl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N-(2-methoxyethyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N-(2-methoxyethyl)-6-(2-pyridyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4

Isomeric SMILES

COCCNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4

InChI

InChI=1S/C22H19N5O2/c1-3-15-7-8-18-16(12-15)20(17-6-4-5-9-23-17)25-13-19-21(26-14-27(18)19)22(28)24-10-11-29-2/h1,4-9,12,14H,10-11,13H2,2H3,(H,24,28)