5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl chloride

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl chloride Openeye Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl chloride CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarbonyl chloride IUPAC Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl chloride Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carbonyl chloride Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O/c1-2-3-7-19-13-21(22(23)27)25-26(19)15-16-9-11-17(12-10-16)20-8-5-4-6-18(20)14-24/h4-6,8-13H,2-3,7,15H2,1H3