5-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]pyridine-3-carbonitrile

Systemtic Name: 5-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]pyridine-3-carbonitrile Openeye Name: 5-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]pyridine-3-carbonitrile CAS Name: 5-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]-3-pyridinecarbonitrile IUPAC Name: 5-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]pyridine-3-carbonitrile Traditional Name: 5-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]nicotinonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CN=CC(=C3)C#N)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CN=CC(=C3)C#N)O

InChI

InChI=1S/C21H19N3O2/c22-11-17-10-19(14-24-13-17)18-4-7-21(8-5-18)26-15-20(25)6-3-16-2-1-9-23-12-16/h1-2,4-5,7-10,12-14,20,25H,3,6,15H2