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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-triflyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C22H20F3N5O2S MolecularWeight: 475.48671

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C22H20F3N5O2S/c23-22(24,25)33(31,32)30-12-18-8-17(10-26)6-7-21(18)29(13-19-11-27-15-28-19)14-20(30)9-16-4-2-1-3-5-16/h1-8,11,15,20H,9,12-14H2,(H,27,28)