N-(4-cyanophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(4-cyanophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-(4-cyanophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(4-cyanophenyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-(4-cyanophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: N-(4-cyanophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]isonipecotamide Formula: C18H16F3N5O MolecularWeight: 375.34775

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C#N)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C#N)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H16F3N5O/c19-18(20,21)15-5-8-23-17(25-15)26-9-6-13(7-10-26)16(27)24-14-3-1-12(11-22)2-4-14/h1-5,8,13H,6-7,9-10H2,(H,24,27)