N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide Formula: C18H15ClF3N5O MolecularWeight: 409.79281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H15ClF3N5O/c19-14-3-2-13(18(20,21)22)9-15(14)25-17(28)27-7-5-26(6-8-27)16-4-1-12(10-23)11-24-16/h1-4,9,11H,5-8H2,(H,25,28)