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

Systemtic Name: 4-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzonitrile IUPAC Name: 4-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzonitrile Traditional Name: 4-[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(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI

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