3-[1-(4-methylphenyl)carbonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzoate

Systemtic Name: 3-[1-(4-methylphenyl)carbonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzoate Openeye Name: 3-[1-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 3-[1-[(4-methylphenyl)-oxomethyl]-3-(trifluoromethyl)-4-pyrazolyl]propyl ester IUPAC Name: 3-[1-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 3-[1-p-toluoyl-3-(trifluoromethyl)pyrazol-4-yl]propyl ester Formula: C23H21F3N2O3 MolecularWeight: 430.41965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C=C(C(=N2)C(F)(F)F)CCCOC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C=C(C(=N2)C(F)(F)F)CCCOC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H21F3N2O3/c1-15-5-9-17(10-6-15)21(29)28-14-19(20(27-28)23(24,25)26)4-3-13-31-22(30)18-11-7-16(2)8-12-18/h5-12,14H,3-4,13H2,1-2H3