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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C27H27F3N6O MolecularWeight: 508.53809

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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)NCCCN5C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C27H27F3N6O/c28-27(29,30)20-5-3-6-21(17-20)35-13-15-36(16-14-35)25-18-23(22-7-1-2-8-24(22)33-25)26(37)32-9-4-11-34-12-10-31-19-34/h1-3,5-8,10,12,17-19H,4,9,11,13-16H2,(H,32,37)