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

Systemtic Name: 1-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)ethanone Openeye Name: 1-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethanone CAS Name: 1-[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)ethanone IUPAC Name: 1-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethanone Traditional Name: 1-(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethanone Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CC4=CN=CN4

InChI

InChI=1S/C22H23BrN4O3S/c1-31(29,30)27-13-17-10-18(23)7-8-21(17)26(22(28)11-19-12-24-15-25-19)14-20(27)9-16-5-3-2-4-6-16/h2-8,10,12,15,20H,9,11,13-14H2,1H3,(H,24,25)