7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-one dihydrochloride Formula: C20H21BrCl2N4O MolecularWeight: 484.21694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1C(NC(=O)C2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C20H19BrN4O.2ClH/c21-15-6-7-19-18(9-15)20(26)24-16(8-14-4-2-1-3-5-14)11-25(19)12-17-10-22-13-23-17;;/h1-7,9-10,13,16H,8,11-12H2,(H,22,23)(H,24,26);2*1H