N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-homopiperonyl-isonipecotamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H22N4O3/c22-12-16-2-4-20(24-13-16)25-9-6-17(7-10-25)21(26)23-8-5-15-1-3-18-19(11-15)28-14-27-18/h1-4,11,13,17H,5-10,14H2,(H,23,26)