N-(2-benzamidoethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(2-benzamidoethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(2-benzamidoethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(2-benzamidoethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H22ClF3N4O2 MolecularWeight: 454.87319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCNC(=O)C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCNC(=O)C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N4O2/c22-17-12-16(21(23,24)25)13-28-18(17)29-10-6-15(7-11-29)20(31)27-9-8-26-19(30)14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,26,30)(H,27,31)