N-(thiophen-2-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(thiophen-2-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2-thienylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(thiophen-2-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(thiophen-2-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(2-thenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C26H23F3N4OS MolecularWeight: 496.54723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C26H23F3N4OS/c27-26(28,29)18-5-3-6-19(15-18)32-10-12-33(13-11-32)24-16-22(21-8-1-2-9-23(21)31-24)25(34)30-17-20-7-4-14-35-20/h1-9,14-16H,10-13,17H2,(H,30,34)