4-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(4-fluorophenyl)sulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C29H25FN4O2S MolecularWeight: 512.597803

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C29H25FN4O2S/c30-26-9-11-28(12-10-26)37(35,36)34-20-25-15-23(17-31)8-13-29(25)33(19-24-7-4-14-32-18-24)21-27(34)16-22-5-2-1-3-6-22/h1-15,18,27H,16,19-21H2