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

Systemtic Name: 8-ethynyl-N-(4-oxidanylbutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Openeye Name: 8-ethynyl-N-(4-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride CAS Name: 8-ethynyl-N-(4-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride IUPAC Name: 8-ethynyl-N-(4-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Traditional Name: 8-ethynyl-N-(4-hydroxybutyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Formula: C24H24Cl2N4O2 MolecularWeight: 471.37896

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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)NCCCCO.Cl.Cl

Isomeric SMILES

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)NCCCCO.Cl.Cl

InChI

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