ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C19H22F3N3O2 MolecularWeight: 381.39209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CC(CC(C3)C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3C[C@@H](C[C@H](C3)C)C)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O2/c1-4-27-17(26)13-5-6-15-14(8-13)16(24-18(23-15)19(20,21)22)25-9-11(2)7-12(3)10-25/h5-6,8,11-12H,4,7,9-10H2,1-3H3/t11-,12-/m1/s1