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

Systemtic Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H29N7O2S MolecularWeight: 479.59776

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CN=CC=C3)CC4=CN=CN4

Isomeric SMILES

CN(C)CCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CN=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C24H29N7O2S/c1-29(2)8-9-34(32,33)31-15-21-10-19(12-25)5-6-24(21)30(16-22-14-27-18-28-22)17-23(31)11-20-4-3-7-26-13-20/h3-7,10,13-14,18,23H,8-9,11,15-17H2,1-2H3,(H,27,28)