N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-[3-(trifluoromethyl)-2-pyridyl]nipecotamide Formula: C21H23F3N6O2 MolecularWeight: 448.44153

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CC(CN(C1)C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H23F3N6O2/c22-21(23,24)16-4-1-7-26-19(16)30-9-2-3-14(12-30)20(32)28-15-5-6-17(27-11-15)29-10-8-25-18(31)13-29/h1,4-7,11,14H,2-3,8-10,12-13H2,(H,25,31)(H,28,32)