methyl 4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-(4-m-toluoylpiperazino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-14-4-3-5-15(12-14)19(27)26-10-8-25(9-11-26)18-7-6-16(20(28)29-2)13-17(18)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3