N-(2-ethoxyphenyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: 4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-o-phenetyl-piperazine-1-carboxamide Formula: C27H30F3N5O2 MolecularWeight: 513.55461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC3=CC=CC=C3OCC)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC3=CC=CC=C3OCC)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C27H30F3N5O2/c1-4-21-18(3)31-24(19-9-8-10-20(17-19)27(28,29)30)33-25(21)34-13-15-35(16-14-34)26(36)32-22-11-6-7-12-23(22)37-5-2/h6-12,17H,4-5,13-16H2,1-3H3,(H,32,36)