2-[4-[2-(2-ethanoylphenyl)pyridin-4-yl]-5-(3-methyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-(2-ethanoylphenyl)pyridin-4-yl]-5-(3-methyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(2-acetylphenyl)-4-pyridyl]-5-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-[2-(2-acetylphenyl)-4-pyridinyl]-5-(3-hydroxy-5-methylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-[2-(2-acetylphenyl)pyridin-4-yl]-5-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-[2-(2-acetylphenyl)-4-pyridyl]-5-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile Formula: C25H20N4O2 MolecularWeight: 408.4519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C=NN2CC#N)C3=CC(=NC=C3)C4=CC=CC=C4C(=O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C=NN2CC#N)C3=CC(=NC=C3)C4=CC=CC=C4C(=O)C)O

InChI

InChI=1S/C25H20N4O2/c1-16-11-19(13-20(31)12-16)25-23(15-28-29(25)10-8-26)18-7-9-27-24(14-18)22-6-4-3-5-21(22)17(2)30/h3-7,9,11-15,31H,10H2,1-2H3