5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-cyclohexyl-pyrazole-3-carboxamide

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-cyclohexyl-pyrazole-3-carboxamide Openeye Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-cyclohexyl-pyrazole-3-carboxamide CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-cyclohexyl-3-pyrazolecarboxamide IUPAC Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-cyclohexylpyrazole-3-carboxamide Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]-N-cyclohexyl-pyrazole-3-carboxamide Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NC4CCCCC4

InChI

InChI=1S/C28H32N4O/c1-2-3-12-25-18-27(28(33)30-24-10-5-4-6-11-24)31-32(25)20-21-14-16-22(17-15-21)26-13-8-7-9-23(26)19-29/h7-9,13-18,24H,2-6,10-12,20H2,1H3,(H,30,33)