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

Systemtic Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxidanylidene-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxo-pyrazol-1-yl]acetate CAS Name: 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxo-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-oxopyrazol-1-yl]acetate Traditional Name: 2-[5-butyl-4-[4-(2-cyanophenyl)benzyl]-3-keto-2-methyl-3-pyrazolin-1-yl]acetic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H29N3O3/c1-4-6-11-24-23(26(31)28(3)29(24)18-25(30)32-5-2)16-19-12-14-20(15-13-19)22-10-8-7-9-21(22)17-27/h7-10,12-15H,4-6,11,16,18H2,1-3H3