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

Systemtic Name: N-(3-propoxypropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(3-propoxypropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(3-propoxypropyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(3-propoxypropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(3-propoxypropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C27H31F3N4O2 MolecularWeight: 500.55585

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H31F3N4O2/c1-2-16-36-17-6-11-31-26(35)23-19-25(32-24-10-4-3-9-22(23)24)34-14-12-33(13-15-34)21-8-5-7-20(18-21)27(28,29)30/h3-5,7-10,18-19H,2,6,11-17H2,1H3,(H,31,35)