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

Systemtic Name: N-(cyclopropylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(cyclopropylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(cyclopropylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(cyclopropylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(cyclopropylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C25H25F3N4O MolecularWeight: 454.48741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CC1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H25F3N4O/c26-25(27,28)18-4-3-5-19(14-18)31-10-12-32(13-11-31)23-15-21(24(33)29-16-17-8-9-17)20-6-1-2-7-22(20)30-23/h1-7,14-15,17H,8-13,16H2,(H,29,33)