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

Systemtic Name: 1-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(naphthalen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Openeye Name: 1-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(2-naphthylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride CAS Name: 1-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(2-naphthalenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride IUPAC Name: 1-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(naphthalen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Traditional Name: 1-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(2-naphthylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone dihydrochloride Formula: C26H27BrCl2N4O MolecularWeight: 562.32878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC4=CC=CC=C4C=C3)CC5=CN=CN5.Cl.Cl

Isomeric SMILES

CC(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC4=CC=CC=C4C=C3)CC5=CN=CN5.Cl.Cl

InChI

InChI=1S/C26H25BrN4O.2ClH/c1-18(32)31-14-22-12-23(27)8-9-26(22)30(15-24-13-28-17-29-24)16-25(31)11-19-6-7-20-4-2-3-5-21(20)10-19;;/h2-10,12-13,17,25H,11,14-16H2,1H3,(H,28,29);2*1H