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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]-2-piperidinecarbonitrile IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile Traditional Name: 4-homopiperonyl-1-[(2-keto-1H-pyridin-3-yl)methyl]pipecolinonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1CCC2=CC3=C(C=C2)OCO3)C#N)CC4=CC=CNC4=O

Isomeric SMILES

C1CN(C(CC1CCC2=CC3=C(C=C2)OCO3)C#N)CC4=CC=CNC4=O

InChI

InChI=1S/C21H23N3O3/c22-12-18-10-16(4-3-15-5-6-19-20(11-15)27-14-26-19)7-9-24(18)13-17-2-1-8-23-21(17)25/h1-2,5-6,8,11,16,18H,3-4,7,9-10,13-14H2,(H,23,25)