ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C24H24F3N3O2 MolecularWeight: 443.46147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

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