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

Systemtic Name: 8-ethynyl-N-(2-oxidanylbutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N-(2-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N-(2-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N-(2-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N-(2-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2/c1-3-16-10-11-20-19(12-16)22(17-8-6-5-7-9-17)25-14-21-23(27-15-28(20)21)24(30)26-13-18(29)4-2/h1,5-12,15,18,29H,4,13-14H2,2H3,(H,26,30)