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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate hydrochloride Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate hydrochloride CAS Name: 4-(4-ethyl-1-piperazinyl)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate hydrochloride Traditional Name: 4-(4-ethylpiperazino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester hydrochloride Formula: C18H22ClF3N4O2 MolecularWeight: 418.84109

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F.Cl

InChI

InChI=1S/C18H21F3N4O2.ClH/c1-3-24-7-9-25(10-8-24)15-13-11-12(16(26)27-4-2)5-6-14(13)22-17(23-15)18(19,20)21;/h5-6,11H,3-4,7-10H2,1-2H3;1H