tert-butyl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: tert-butyl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Openeye Name: tert-butyl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxylic acid tert-butyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2/c1-5-6-10-22-16-24(25(30)31-26(2,3)4)28-29(22)18-19-12-14-20(15-13-19)23-11-8-7-9-21(23)17-27/h7-9,11-16H,5-6,10,18H2,1-4H3