4-methylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-methylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-methylsulfonyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-methylsulfonyl-3-(3-pyridinylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-methylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-mesyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CN=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-24(22,23)21-12-15-7-13(9-18)4-5-17(15)20-11-16(21)8-14-3-2-6-19-10-14/h2-7,10,16,20H,8,11-12H2,1H3