2-(diethylaminomethyl)-N-phenethyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: 2-(diethylaminomethyl)-N-phenethyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: 2-(diethylaminomethyl)-N-phenethyl-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: 2-(diethylaminomethyl)-N-phenethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: 2-(diethylaminomethyl)-N-phenethyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: diethyl-[[4-(phenethylamino)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-2-yl]methyl]amine Formula: C27H28F3N5 MolecularWeight: 479.53993

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NCCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)CC1=NC2=C(C=CC(=C2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H28F3N5/c1-3-35(4-2)18-24-33-23-17-20(25-22(27(28,29)30)11-8-15-31-25)12-13-21(23)26(34-24)32-16-14-19-9-6-5-7-10-19/h5-13,15,17H,3-4,14,16,18H2,1-2H3,(H,32,33,34)