2-[4-[[2-butyl-6-chloranyl-4-(hydroxymethyl)-5-methyl-pyridin-3-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-6-chloranyl-4-(hydroxymethyl)-5-methyl-pyridin-3-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-6-chloro-4-(hydroxymethyl)-5-methyl-3-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-6-chloro-4-(hydroxymethyl)-5-methyl-3-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-6-chloro-4-(hydroxymethyl)-5-methylpyridin-3-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-chloro-5-methyl-4-methylol-3-pyridyl)methyl]phenyl]benzonitrile Formula: C25H25ClN2O MolecularWeight: 404.9318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)C)Cl

InChI

InChI=1S/C25H25ClN2O/c1-3-4-9-24-22(23(16-29)17(2)25(26)28-24)14-18-10-12-19(13-11-18)21-8-6-5-7-20(21)15-27/h5-8,10-13,29H,3-4,9,14,16H2,1-2H3