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

Systemtic Name: 8-ethynyl-N-(5-oxidanylpentyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N-(5-hydroxypentyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N-(5-hydroxypentyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N-(5-hydroxypentyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N-(5-hydroxypentyl)-6-phenyl-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:

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)NCCCCCO

Isomeric SMILES

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)NCCCCCO

InChI

InChI=1S/C25H24N4O2/c1-2-18-11-12-21-20(15-18)23(19-9-5-3-6-10-19)27-16-22-24(28-17-29(21)22)25(31)26-13-7-4-8-14-30/h1,3,5-6,9-12,15,17,30H,4,7-8,13-14,16H2,(H,26,31)