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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(C(=O)C1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(C(=O)C1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C21H21BrN4O3S/c1-30(28,29)26-12-16-10-17(22)7-8-19(16)25(13-18-11-23-14-24-18)21(27)20(26)9-15-5-3-2-4-6-15/h2-8,10-11,14,20H,9,12-13H2,1H3,(H,23,24)