N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [(1S)-1-(3,4-diethoxyphenyl)ethyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C21H22F3N3O2 MolecularWeight: 405.41349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F)OCC

InChI

InChI=1S/C21H22F3N3O2/c1-4-28-17-11-10-14(12-18(17)29-5-2)13(3)25-19-15-8-6-7-9-16(15)26-20(27-19)21(22,23)24/h6-13H,4-5H2,1-3H3,(H,25,26,27)/t13-/m0/s1