4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-1-methyl-6-(trifluoromethyl)quinolin-2-one

Systemtic Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-1-methyl-6-(trifluoromethyl)quinolin-2-one Openeye Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-1-methyl-6-(trifluoromethyl)quinolin-2-one CAS Name: 4-[5-benzofuranylmethyl(4-piperidinyl)amino]-1-methyl-6-(trifluoromethyl)-2-quinolinone IUPAC Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-1-methyl-6-(trifluoromethyl)quinolin-2-one Traditional Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-1-methyl-6-(trifluoromethyl)carbostyril Formula: C25H24F3N3O2 MolecularWeight: 455.47217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(F)(F)F)C(=CC1=O)N(CC3=CC4=C(C=C3)OC=C4)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(F)(F)F)C(=CC1=O)N(CC3=CC4=C(C=C3)OC=C4)C5CCNCC5

InChI

InChI=1S/C25H24F3N3O2/c1-30-21-4-3-18(25(26,27)28)13-20(21)22(14-24(30)32)31(19-6-9-29-10-7-19)15-16-2-5-23-17(12-16)8-11-33-23/h2-5,8,11-14,19,29H,6-7,9-10,15H2,1H3