2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride

Systemtic Name: 2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Openeye Name: 2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride CAS Name: 2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine hydrochloride IUPAC Name: 2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Traditional Name: [2-(4-tert-butylphenyl)quinazolin-4-yl]-[3-(trifluoromethyl)phenyl]amine hydrochloride Formula: C25H23ClF3N3 MolecularWeight: 457.91843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F.Cl

InChI

InChI=1S/C25H22F3N3.ClH/c1-24(2,3)17-13-11-16(12-14-17)22-30-21-10-5-4-9-20(21)23(31-22)29-19-8-6-7-18(15-19)25(26,27)28;/h4-15H,1-3H3,(H,29,30,31);1H