N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: (4-tert-butylphenyl)-[2-methyl-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine Formula: C25H23F3N4 MolecularWeight: 436.47213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H23F3N4/c1-15-30-21-14-16(22-20(25(26,27)28)6-5-13-29-22)7-12-19(21)23(31-15)32-18-10-8-17(9-11-18)24(2,3)4/h5-14H,1-4H3,(H,30,31,32)