2-(1,3-benzodioxol-5-yl)-3-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidyl]propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidinyl]propanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]propanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-keto-1H-pyridin-3-yl)methyl]-4-piperidyl]propionitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(C#N)C2=CC3=C(C=C2)OCO3)CC4=CC=CNC4=O

Isomeric SMILES

C1CN(CCC1CC(C#N)C2=CC3=C(C=C2)OCO3)CC4=CC=CNC4=O

InChI

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