ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)-6-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylate Traditional Name: 4-(4-benzylpiperazino)-2-(trifluoromethyl)quinoline-6-carboxylic acid ethyl ester Formula: C24H24F3N3O2 MolecularWeight: 443.46147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H24F3N3O2/c1-2-32-23(31)18-8-9-20-19(14-18)21(15-22(28-20)24(25,26)27)30-12-10-29(11-13-30)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3