3-(phenylmethyl)-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-(phenylmethyl)-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-propylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-2-10-26(24,25)23-15-18-11-17(13-21)8-9-20(18)22-14-19(23)12-16-6-4-3-5-7-16/h3-9,11,19,22H,2,10,12,14-15H2,1H3