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

Systemtic Name: 8-ethynyl-N-(3-oxidanylpropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Openeye Name: 8-ethynyl-N-(3-hydroxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride CAS Name: 8-ethynyl-N-(3-hydroxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride IUPAC Name: 8-ethynyl-N-(3-hydroxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Traditional Name: 8-ethynyl-N-(3-hydroxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Formula: C23H22Cl2N4O2 MolecularWeight: 457.35238

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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)NCCCO.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2.2ClH/c1-2-16-9-10-19-18(13-16)21(17-7-4-3-5-8-17)25-14-20-22(26-15-27(19)20)23(29)24-11-6-12-28;;/h1,3-5,7-10,13,15,28H,6,11-12,14H2,(H,24,29);2*1H