3-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 3-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 3-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 3-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzonitrile Traditional Name: 3-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2/c1-17(23(26)12-7-18-5-3-13-25-16-18)27-22-10-8-20(9-11-22)21-6-2-4-19(14-21)15-24/h2-6,8-11,13-14,16-17,23,26H,7,12H2,1H3