ethyl 4-(3-phenylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(3-phenylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-(3-phenylpropylamino)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(3-phenylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c1-2-29-19(28)15-10-11-17-16(13-15)18(27-20(26-17)21(22,23)24)25-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,25,26,27)