1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Formula: C21H24Cl2N4O MolecularWeight: 419.34746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4.Cl.Cl

Isomeric SMILES

CC(=O)N1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4.Cl.Cl

InChI

InChI=1S/C21H22N4O.2ClH/c1-16(26)24-9-10-25(14-20-12-22-15-23-20)21-8-7-18(11-19(21)13-24)17-5-3-2-4-6-17;;/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,22,23);2*1H