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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C23H27BrN4O2S MolecularWeight: 503.45508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O2S/c1-2-10-31(29,30)28-14-19-12-20(24)8-9-23(19)27(15-21-13-25-17-26-21)16-22(28)11-18-6-4-3-5-7-18/h3-9,12-13,17,22H,2,10-11,14-16H2,1H3,(H,25,26)