2-(phenylmethyl)-4-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyl]phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyl]phthalazin-1-one Openeye Name: 2-benzyl-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phthalazin-1-one Formula: C26H20F3N3O2 MolecularWeight: 463.45111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(F)(F)F)N(C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(F)(F)F)N(C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H20F3N3O2/c27-26(28,29)19-12-13-22-18(15-19)9-6-14-31(22)25(34)23-20-10-4-5-11-21(20)24(33)32(30-23)16-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2