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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-ethynylphenyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-ethynylphenyl)isonipecotamide Formula: C20H17ClF3N3O MolecularWeight: 407.81669

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3N3O/c1-2-13-4-3-5-16(10-13)26-19(28)14-6-8-27(9-7-14)18-17(21)11-15(12-25-18)20(22,23)24/h1,3-5,10-12,14H,6-9H2,(H,26,28)