3-[[4-[6-(pyridin-4-ylmethoxy)pyridin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[6-(pyridin-4-ylmethoxy)pyridin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[6-(4-pyridylmethoxy)-2-pyridyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[6-(pyridin-4-ylmethoxy)pyridin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[6-(4-pyridylmethoxy)-2-pyridyl]piperazino]methyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC(=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC(=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H23N5O/c24-16-20-3-1-4-21(15-20)17-27-11-13-28(14-12-27)22-5-2-6-23(26-22)29-18-19-7-9-25-10-8-19/h1-10,15H,11-14,17-18H2