2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)-N,N-dimethyl-ethanamine

Systemtic Name: 2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethyl-ethanamine CAS Name: 2-[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)-N,N-dimethylethanamine IUPAC Name: 2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethylethanamine Traditional Name: [2-(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethyl]-dimethyl-amine Formula: C24H30BrN5O2S MolecularWeight: 532.4963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CN=CN1)N2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN(C)CC(C1=CN=CN1)N2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H30BrN5O2S/c1-28(2)16-24(22-13-26-17-27-22)29-15-21(11-18-7-5-4-6-8-18)30(33(3,31)32)14-19-12-20(25)9-10-23(19)29/h4-10,12-13,17,21,24H,11,14-16H2,1-3H3,(H,26,27)