4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[(2-pyrrolidino-4-pyridyl)methyl]piperazine-1-carboxamide Formula: C21H24ClF3N6O MolecularWeight: 468.90307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H24ClF3N6O/c22-17-12-16(21(23,24)25)14-27-19(17)30-7-9-31(10-8-30)20(32)28-13-15-3-4-26-18(11-15)29-5-1-2-6-29/h3-4,11-12,14H,1-2,5-10,13H2,(H,28,32)