1-(5-cyanopyridin-2-yl)-N-(3-ethynylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-(3-ethynylphenyl)piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-(3-ethynylphenyl)isonipecotamide Formula: C20H18N4O MolecularWeight: 330.38312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4O/c1-2-15-4-3-5-18(12-15)23-20(25)17-8-10-24(11-9-17)19-7-6-16(13-21)14-22-19/h1,3-7,12,14,17H,8-11H2,(H,23,25)