3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 3-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzonitrile IUPAC Name: 3-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzonitrile Traditional Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzonitrile Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O)C#N

InChI

InChI=1S/C22H20N2O2/c23-14-18-3-1-5-20(13-18)19-7-10-22(11-8-19)26-16-21(25)9-6-17-4-2-12-24-15-17/h1-5,7-8,10-13,15,21,25H,6,9,16H2