5-chloranyl-2-(2-cyano-1-pyridin-3-yl-nonan-2-yl)benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-(2-cyano-1-pyridin-3-yl-nonan-2-yl)benzenecarbonitrile Openeye Name: 5-chloro-2-[1-cyano-1-(3-pyridylmethyl)octyl]benzonitrile CAS Name: 5-chloro-2-[2-cyano-1-(3-pyridinyl)nonan-2-yl]benzonitrile IUPAC Name: 5-chloro-2-(2-cyano-1-pyridin-3-ylnonan-2-yl)benzonitrile Traditional Name: 5-chloro-2-[1-cyano-1-(3-pyridylmethyl)octyl]benzonitrile Formula: C22H24ClN3 MolecularWeight: 365.89906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC1=CN=CC=C1)(C#N)C2=C(C=C(C=C2)Cl)C#N

Isomeric SMILES

CCCCCCCC(CC1=CN=CC=C1)(C#N)C2=C(C=C(C=C2)Cl)C#N

InChI

InChI=1S/C22H24ClN3/c1-2-3-4-5-6-11-22(17-25,14-18-8-7-12-26-16-18)21-10-9-20(23)13-19(21)15-24/h7-10,12-13,16H,2-6,11,14H2,1H3