3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-[2-(2,6-dimethylphenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CCC2CN(C3=C(CN2S(=O)(=O)C)C=C(C=C3)C#N)CC4=CN=CN4

Isomeric SMILES

CC1=C(C(=CC=C1)C)CCC2CN(C3=C(CN2S(=O)(=O)C)C=C(C=C3)C#N)CC4=CN=CN4

InChI

InChI=1S/C25H29N5O2S/c1-18-5-4-6-19(2)24(18)9-8-23-16-29(15-22-13-27-17-28-22)25-10-7-20(12-26)11-21(25)14-30(23)33(3,31)32/h4-7,10-11,13,17,23H,8-9,14-16H2,1-3H3,(H,27,28)