ethyl 4-[2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(3-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C4=CN=CC=C4

InChI

InChI=1S/C23H22F3N5O2/c1-2-33-22(32)31-11-9-30(10-12-31)20-14-19(16-5-3-7-18(13-16)23(24,25)26)28-21(29-20)17-6-4-8-27-15-17/h3-8,13-15H,2,9-12H2,1H3