ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C22H20ClF3N4O2 MolecularWeight: 464.86801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC(=CC=C4)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC(=CC=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H20ClF3N4O2/c1-2-32-20(31)14-6-7-18-17(12-14)19(28-21(27-18)22(24,25)26)30-10-8-29(9-11-30)16-5-3-4-15(23)13-16/h3-7,12-13H,2,8-11H2,1H3