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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN1)CC2=C(C=CC(=C2C#N)OCC3=CC=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CNC(CN1)CC2=C(C=CC(=C2C#N)OCC3=CC=NC=C3)C4=CC=CC=N4

InChI

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