2-(piperazin-1-ylmethyl)-3-pyridin-2-yl-6-(pyridin-4-ylmethoxy)benzenecarbonitrile

Systemtic Name: 2-(piperazin-1-ylmethyl)-3-pyridin-2-yl-6-(pyridin-4-ylmethoxy)benzenecarbonitrile Openeye Name: 2-(piperazin-1-ylmethyl)-3-(2-pyridyl)-6-(4-pyridylmethoxy)benzonitrile CAS Name: 2-(1-piperazinylmethyl)-3-(2-pyridinyl)-6-(pyridin-4-ylmethoxy)benzonitrile IUPAC Name: 2-(piperazin-1-ylmethyl)-3-pyridin-2-yl-6-(pyridin-4-ylmethoxy)benzonitrile Traditional Name: 2-(piperazinomethyl)-3-(2-pyridyl)-6-(4-pyridylmethoxy)benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C=CC(=C2C#N)OCC3=CC=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1)CC2=C(C=CC(=C2C#N)OCC3=CC=NC=C3)C4=CC=CC=N4

InChI

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