4-[4-[(2S,3R)-3-oxidanyl-5-pyridin-3-yl-pentan-2-yl]oxyphenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-[(2S,3R)-3-oxidanyl-5-pyridin-3-yl-pentan-2-yl]oxyphenyl]benzene-1,2-dicarbonitrile Openeye Name: 4-[4-[(1S,2R)-2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]phthalonitrile CAS Name: 4-[4-[(2S,3R)-3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-[4-[(2S,3R)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]benzene-1,2-dicarbonitrile Traditional Name: 4-[4-[(1S,2R)-2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]phthalonitrile Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@@H](CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)C#N

InChI

InChI=1S/C24H21N3O2/c1-17(24(28)11-4-18-3-2-12-27-16-18)29-23-9-7-19(8-10-23)20-5-6-21(14-25)22(13-20)15-26/h2-3,5-10,12-13,16-17,24,28H,4,11H2,1H3/t17-,24+/m0/s1