4-chloranyl-2-(4-oxidanyl-1-pyridin-3-yl-butoxy)benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-(4-oxidanyl-1-pyridin-3-yl-butoxy)benzenecarbonitrile Openeye Name: 4-chloro-2-[4-hydroxy-1-(3-pyridyl)butoxy]benzonitrile CAS Name: 4-chloro-2-[4-hydroxy-1-(3-pyridinyl)butoxy]benzonitrile IUPAC Name: 4-chloro-2-(4-hydroxy-1-pyridin-3-ylbutoxy)benzonitrile Traditional Name: 4-chloro-2-[4-hydroxy-1-(3-pyridyl)butoxy]benzonitrile Formula: C16H15ClN2O2 MolecularWeight: 302.7555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCO)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CN=C1)C(CCCO)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H15ClN2O2/c17-14-6-5-12(10-18)16(9-14)21-15(4-2-8-20)13-3-1-7-19-11-13/h1,3,5-7,9,11,15,20H,2,4,8H2