methyl 6-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C19H22F3N3O3 MolecularWeight: 397.39149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCCCC(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCCCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3/c1-13-7-9-14(10-8-13)25-17(19(20,21)22)15(12-24-25)18(27)23-11-5-3-4-6-16(26)28-2/h7-10,12H,3-6,11H2,1-2H3,(H,23,27)