4-[[4-[3-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(3-pyridylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[3-(3-pyridinylmethoxy)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3-pyridylmethoxy)benzoyl]piperazino]methyl]benzonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c26-16-20-6-8-21(9-7-20)18-28-11-13-29(14-12-28)25(30)23-4-1-5-24(15-23)31-19-22-3-2-10-27-17-22/h1-10,15,17H,11-14,18-19H2