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

Systemtic Name: propan-2-yl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Openeye Name: isopropyl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxylic acid isopropyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-4-5-9-22-15-24(25(29)30-18(2)3)27-28(22)17-19-11-13-20(14-12-19)23-10-7-6-8-21(23)16-26/h6-8,10-15,18H,4-5,9,17H2,1-3H3