ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(4-carbethoxypiperazino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C19H21F3N4O4 MolecularWeight: 426.38965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O4/c1-3-29-16(27)12-5-6-14-13(11-12)15(24-17(23-14)19(20,21)22)25-7-9-26(10-8-25)18(28)30-4-2/h5-6,11H,3-4,7-10H2,1-2H3