ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCC4=CC=CC=C4C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCC4=CC=CC=C4C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c1-2-29-19(28)14-7-8-17-16(11-14)18(26-20(25-17)21(22,23)24)27-10-9-13-5-3-4-6-15(13)12-27/h3-8,11H,2,9-10,12H2,1H3