4-[(4-tert-butylphenyl)methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazoline

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazoline Openeye Name: 4-[(4-tert-butylphenyl)methyl]-7-[3-(trifluoromethyl)-2-pyridyl]quinazoline CAS Name: 4-[(4-tert-butylphenyl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazoline IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazoline Traditional Name: 4-(4-tert-butylbenzyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazoline Formula: C25H22F3N3 MolecularWeight: 421.45749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C25H22F3N3/c1-24(2,3)18-9-6-16(7-10-18)13-21-19-11-8-17(14-22(19)31-15-30-21)23-20(25(26,27)28)5-4-12-29-23/h4-12,14-15H,13H2,1-3H3