ethyl 2-[4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxidanylidene-5-propyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxidanylidene-5-propyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxo-5-propyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxo-5-propyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxo-5-propylpyrazol-1-yl]acetate Traditional Name: 2-[4-[4-(2-cyanophenyl)benzyl]-3-keto-2-methyl-5-propyl-3-pyrazolin-1-yl]acetic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H27N3O3/c1-4-8-23-22(25(30)27(3)28(23)17-24(29)31-5-2)15-18-11-13-19(14-12-18)21-10-7-6-9-20(21)16-26/h6-7,9-14H,4-5,8,15,17H2,1-3H3