3-[4-(2-methyl-4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 3-[4-(2-methyl-4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-hydroxy-1-isopropyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 3-[4-[4-hydroxy-2-methyl-6-(3-pyridinyl)hexan-3-yl]oxyphenyl]benzonitrile IUPAC Name: 3-[4-(4-hydroxy-2-methyl-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzonitrile Traditional Name: 3-[4-[2-hydroxy-1-isopropyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile Formula: C25H26N2O2 MolecularWeight: 386.48614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2/c1-18(2)25(24(28)13-8-19-6-4-14-27-17-19)29-23-11-9-21(10-12-23)22-7-3-5-20(15-22)16-26/h3-7,9-12,14-15,17-18,24-25,28H,8,13H2,1-2H3