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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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