bis[3-[2,8-bis(trifluoromethyl)quinolin-4-yl]pyridin-2-yl]methanone

Systemtic Name: bis[3-[2,8-bis(trifluoromethyl)quinolin-4-yl]pyridin-2-yl]methanone Openeye Name: bis[3-[2,8-bis(trifluoromethyl)-4-quinolyl]-2-pyridyl]methanone CAS Name: bis[3-[2,8-bis(trifluoromethyl)-4-quinolinyl]-2-pyridinyl]methanone IUPAC Name: bis[3-[2,8-bis(trifluoromethyl)quinolin-4-yl]pyridin-2-yl]methanone Traditional Name: bis[3-[2,8-bis(trifluoromethyl)-4-quinolyl]-2-pyridyl]methanone Formula: C33H14F12N4O MolecularWeight: 710.471298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C3=C(N=CC=C3)C(=O)C4=C(C=CC=N4)C5=CC(=NC6=C5C=CC=C6C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C3=C(N=CC=C3)C(=O)C4=C(C=CC=N4)C5=CC(=NC6=C5C=CC=C6C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H14F12N4O/c34-30(35,36)21-9-1-5-15-19(13-23(32(40,41)42)48-25(15)21)17-7-3-11-46-27(17)29(50)28-18(8-4-12-47-28)20-14-24(33(43,44)45)49-26-16(20)6-2-10-22(26)31(37,38)39/h1-14H