4-chloranyl-2-(4-iodanyl-1-pyridin-2-yl-butoxy)benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-(4-iodanyl-1-pyridin-2-yl-butoxy)benzenecarbonitrile Openeye Name: 4-chloro-2-[4-iodo-1-(2-pyridyl)butoxy]benzonitrile CAS Name: 4-chloro-2-[4-iodo-1-(2-pyridinyl)butoxy]benzonitrile IUPAC Name: 4-chloro-2-(4-iodo-1-pyridin-2-ylbutoxy)benzonitrile Traditional Name: 4-chloro-2-[4-iodo-1-(2-pyridyl)butoxy]benzonitrile Formula: C16H14ClIN2O MolecularWeight: 412.65263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CCCI)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC=NC(=C1)C(CCCI)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H14ClIN2O/c17-13-7-6-12(11-19)16(10-13)21-15(5-3-8-18)14-4-1-2-9-20-14/h1-2,4,6-7,9-10,15H,3,5,8H2