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

Systemtic Name: ethyl 4-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-phenyl-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H23F3N4O2 MolecularWeight: 456.46023

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23F3N4O2/c1-2-33-23(32)31-13-11-30(12-14-31)21-16-20(18-9-6-10-19(15-18)24(25,26)27)28-22(29-21)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3