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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-phenyl-pyridine-3-carbonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-phenylpyridine-3-carbonitrile Traditional Name: 5-phenyl-2-(4-piperonylpiperazino)nicotinonitrile Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4C#N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c25-14-20-13-21(19-4-2-1-3-5-19)15-26-24(20)28-10-8-27(9-11-28)16-18-6-7-22-23(12-18)30-17-29-22/h1-7,12-13,15H,8-11,16-17H2