3-[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]-N-propyl-benzamide

Systemtic Name: 3-[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]-N-propyl-benzamide Openeye Name: 3-[3-[3-benzyl-8-(trifluoromethyl)-4-quinolyl]phenoxy]-N-propyl-benzamide CAS Name: 3-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenoxy]-N-propylbenzamide IUPAC Name: 3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]-N-propylbenzamide Traditional Name: 3-[3-[3-benzyl-8-(trifluoromethyl)-4-quinolyl]phenoxy]-N-propyl-benzamide Formula: C33H27F3N2O2 MolecularWeight: 540.57489

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)C3=C4C=CC=C(C4=NC=C3CC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)C3=C4C=CC=C(C4=NC=C3CC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C33H27F3N2O2/c1-2-17-37-32(39)24-12-7-14-27(20-24)40-26-13-6-11-23(19-26)30-25(18-22-9-4-3-5-10-22)21-38-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,19-21H,2,17-18H2,1H3,(H,37,39)