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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2S/c1-2-8-32(30,31)29-14-20-9-18(11-24)5-6-23(20)28(15-21-13-26-17-27-21)16-22(29)10-19-4-3-7-25-12-19/h3-7,9,12-13,17,22H,2,8,10,14-16H2,1H3,(H,26,27)