[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]methyl ethanoate

Systemtic Name: [5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]methyl ethanoate Openeye Name: [5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]methyl acetate CAS Name: acetic acid [5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-pyrazolyl]methyl ester IUPAC Name: [5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methylpyrazol-3-yl]methyl acetate Traditional Name: acetic acid [5-butyl-4-[4-(2-cyanophenyl)benzyl]-2-methyl-pyrazol-3-yl]methyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)COC(=O)C)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)COC(=O)C)C

InChI

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