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

Systemtic Name: 5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]pyridine-3-carbonitrile Openeye Name: 5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]pyridine-3-carbonitrile CAS Name: 5-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-3-pyridinecarbonitrile IUPAC Name: 5-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]pyridine-3-carbonitrile Traditional Name: 5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]nicotinonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-16(22(26)9-4-17-3-2-10-24-13-17)27-21-7-5-19(6-8-21)20-11-18(12-23)14-25-15-20/h2-3,5-8,10-11,13-16,22,26H,4,9H2,1H3