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

Systemtic Name: 8-ethynyl-6-phenyl-N-(2-propoxyethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-6-phenyl-N-(2-propoxyethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-6-phenyl-N-(2-propoxyethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-6-phenyl-N-(2-propoxyethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-6-phenyl-N-(2-propoxyethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c1-3-13-31-14-12-26-25(30)24-22-16-27-23(19-8-6-5-7-9-19)20-15-18(4-2)10-11-21(20)29(22)17-28-24/h2,5-11,15,17H,3,12-14,16H2,1H3,(H,26,30)