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

Systemtic Name: 8-ethynyl-N-(furan-2-ylmethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Openeye Name: 8-ethynyl-N-(2-furylmethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride CAS Name: 8-ethynyl-N-(2-furanylmethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride IUPAC Name: 8-ethynyl-N-(furan-2-ylmethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Traditional Name: 8-ethynyl-N-(2-furfuryl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide dihydrochloride Formula: C25H20Cl2N4O2 MolecularWeight: 479.3579

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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)NCC5=CC=CO5.Cl.Cl

Isomeric SMILES

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)NCC5=CC=CO5.Cl.Cl

InChI

InChI=1S/C25H18N4O2.2ClH/c1-2-17-10-11-21-20(13-17)23(18-7-4-3-5-8-18)26-15-22-24(28-16-29(21)22)25(30)27-14-19-9-6-12-31-19;;/h1,3-13,16H,14-15H2,(H,27,30);2*1H