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

Systemtic Name: 4-[[4-[4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(3-pyridylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-(3-pyridinylmethoxy)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(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=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

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

InChI

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