2-chloranyl-4-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 2-chloro-4-[4-[4-hydroxy-6-(3-pyridinyl)hexan-3-yl]oxyphenyl]benzonitrile IUPAC Name: 2-chloro-4-[4-(4-hydroxy-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzonitrile Traditional Name: 2-chloro-4-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzonitrile Formula: C24H23ClN2O2 MolecularWeight: 406.90462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C24H23ClN2O2/c1-2-24(23(28)12-5-17-4-3-13-27-16-17)29-21-10-8-18(9-11-21)19-6-7-20(15-26)22(25)14-19/h3-4,6-11,13-14,16,23-24,28H,2,5,12H2,1H3