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

Systemtic Name: 4-(2-dimethylaminoethylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(2-dimethylaminoethylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-24(2)10-11-28(26,27)25-16-19-12-18(14-22)8-9-21(19)23-15-20(25)13-17-6-4-3-5-7-17/h3-9,12,20,23H,10-11,13,15-16H2,1-2H3