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

Systemtic Name: 2-[5-(3-methyl-5-oxidanyl-phenyl)-4-(2-phenylpyridin-4-yl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[5-(3-hydroxy-5-methyl-phenyl)-4-(2-phenyl-4-pyridyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[5-(3-hydroxy-5-methylphenyl)-4-(2-phenyl-4-pyridinyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[5-(3-hydroxy-5-methylphenyl)-4-(2-phenylpyridin-4-yl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[5-(3-hydroxy-5-methyl-phenyl)-4-(2-phenyl-4-pyridyl)pyrazol-1-yl]acetonitrile Formula: C23H18N4O MolecularWeight: 366.41522

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O/c1-16-11-19(13-20(28)12-16)23-21(15-26-27(23)10-8-24)18-7-9-25-22(14-18)17-5-3-2-4-6-17/h2-7,9,11-15,28H,10H2,1H3