4-methylsulfonyl-3-(phenylmethyl)-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-methylsulfonyl-3-(phenylmethyl)-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-methylsulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-methylsulfonyl-3-(phenylmethyl)-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-methylsulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-mesyl-1-[(1-tritylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C41H37N5O2S MolecularWeight: 663.82978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C41H37N5O2S/c1-49(47,48)46-27-34-24-33(26-42)22-23-40(34)44(30-39(46)25-32-14-6-2-7-15-32)28-38-29-45(31-43-38)41(35-16-8-3-9-17-35,36-18-10-4-11-19-36)37-20-12-5-13-21-37/h2-24,29,31,39H,25,27-28,30H2,1H3