ethyl 4-[4-(phenylmethyl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(4-benzyl-1-piperidyl)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(4-benzylpiperidino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C24H24F3N3O2 MolecularWeight: 443.46147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H24F3N3O2/c1-2-32-22(31)18-8-9-20-19(15-18)21(29-23(28-20)24(25,26)27)30-12-10-17(11-13-30)14-16-6-4-3-5-7-16/h3-9,15,17H,2,10-14H2,1H3