N-isoquinolin-7-yl-2-(methoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: N-isoquinolin-7-yl-2-(methoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: N-(7-isoquinolyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-(7-isoquinolinyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-isoquinolin-7-yl-2-(methoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: 7-isoquinolyl-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine Formula: C25H18F3N5O MolecularWeight: 461.43853

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NC4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

COCC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NC4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C25H18F3N5O/c1-34-14-22-32-21-12-16(23-20(25(26,27)28)3-2-9-30-23)5-7-19(21)24(33-22)31-18-6-4-15-8-10-29-13-17(15)11-18/h2-13H,14H2,1H3,(H,31,32,33)