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

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H20FN3O2S/c24-20-7-9-22(10-8-20)30(28,29)27-16-19-12-18(14-25)6-11-23(19)26-15-21(27)13-17-4-2-1-3-5-17/h1-12,21,26H,13,15-16H2