N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide

Systemtic Name: N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide Openeye Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide CAS Name: N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide IUPAC Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide Traditional Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanesulfonamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)NN1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C22H24N6O2S/c1-31(29,30)26-28-13-19-9-18(11-23)7-8-22(19)27(14-20-12-24-16-25-20)15-21(28)10-17-5-3-2-4-6-17/h2-9,12,16,21,26H,10,13-15H2,1H3,(H,24,25)