2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-(4-piperonylpiperazino)nicotinonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C18H18N4O2/c19-11-15-2-1-5-20-18(15)22-8-6-21(7-9-22)12-14-3-4-16-17(10-14)24-13-23-16/h1-5,10H,6-9,12-13H2