ethyl (4S)-2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate

Systemtic Name: ethyl (4S)-2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Openeye Name: ethyl (4S)-2-(1-piperidyl)-6-(3-pyridyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate CAS Name: (4S)-2-(1-piperidinyl)-6-(3-pyridinyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Traditional Name: (4S)-2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester Formula: C17H19F3N4O3 MolecularWeight: 384.35297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@]1(N=C(OC(=N1)N2CCCCC2)C3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O3/c1-2-26-14(25)16(17(18,19)20)22-13(12-7-6-8-21-11-12)27-15(23-16)24-9-4-3-5-10-24/h6-8,11H,2-5,9-10H2,1H3/t16-/m0/s1