N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyridin-2-yl]phthalazin-1-amine

Systemtic Name: N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyridin-2-yl]phthalazin-1-amine Openeye Name: N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-2-pyridyl]phthalazin-1-amine CAS Name: N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-1-phthalazinamine IUPAC Name: N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyridin-2-yl]phthalazin-1-amine Traditional Name: (4-tert-butylphenyl)-[6-[3-(trifluoromethyl)-2-pyridyl]phthalazin-1-yl]amine Formula: C24H21F3N4 MolecularWeight: 422.44555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=CN=N2)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=CN=N2)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C24H21F3N4/c1-23(2,3)17-7-9-18(10-8-17)30-22-19-11-6-15(13-16(19)14-29-31-22)21-20(24(25,26)27)5-4-12-28-21/h4-14H,1-3H3,(H,30,31)