2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-methyl-quinoline

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-methyl-quinoline Openeye Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-methyl-quinoline CAS Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1-pyrazolyl]-4-methylquinoline IUPAC Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-methylquinoline Traditional Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-methyl-quinoline Formula: C21H16F3N3O MolecularWeight: 383.36645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=CC(=N3)C4=CC=C(C=C4)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=CC(=N3)C4=CC=C(C=C4)OC)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O/c1-13-11-20(25-17-6-4-3-5-16(13)17)27-19(21(22,23)24)12-18(26-27)14-7-9-15(28-2)10-8-14/h3-12H,1-2H3