4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-methoxypyridin-3-yl)methyl]piperidine-2-carbonitrile

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-methoxypyridin-3-yl)methyl]piperidine-2-carbonitrile Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-methoxy-3-pyridyl)methyl]piperidine-2-carbonitrile CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-methoxy-3-pyridinyl)methyl]-2-piperidinecarbonitrile IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-methoxypyridin-3-yl)methyl]piperidine-2-carbonitrile Traditional Name: 4-homopiperonyl-1-[(2-methoxy-3-pyridyl)methyl]pipecolinonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CN2CCC(CC2C#N)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC=N1)CN2CCC(CC2C#N)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O3/c1-26-22-18(3-2-9-24-22)14-25-10-8-17(11-19(25)13-23)5-4-16-6-7-20-21(12-16)28-15-27-20/h2-3,6-7,9,12,17,19H,4-5,8,10-11,14-15H2,1H3