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

Systemtic Name: 4-(3-chloranylpropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-4-(3-chloropropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(3-chloropropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-4-(3-chloropropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-(3-chloropropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C4=CC=CC=C4)S(=O)(=O)CCCCl)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C4=CC=CC=C4)S(=O)(=O)CCCCl)CC5=CC=CC=C5

InChI

InChI=1S/C29H31ClN4O2S/c30-14-7-15-37(35,36)34-19-26-17-25(24-10-5-2-6-11-24)12-13-29(26)33(20-27-18-31-22-32-27)21-28(34)16-23-8-3-1-4-9-23/h1-6,8-13,17-18,22,28H,7,14-16,19-21H2,(H,31,32)