7-bromanyl-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-3-(cyclohexylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H29BrN4O2S MolecularWeight: 481.44956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3CCCCC3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3CCCCC3)CC4=CN=CN4

InChI

InChI=1S/C21H29BrN4O2S/c1-29(27,28)26-12-17-10-18(22)7-8-21(17)25(13-19-11-23-15-24-19)14-20(26)9-16-5-3-2-4-6-16/h7-8,10-11,15-16,20H,2-6,9,12-14H2,1H3,(H,23,24)