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

Systemtic Name: 2-[4-[2-(4-dimethylaminophenyl)pyridin-4-yl]-3-(3-methyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(4-dimethylaminophenyl)-4-pyridyl]-3-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-[2-(4-dimethylaminophenyl)-4-pyridinyl]-3-(3-hydroxy-5-methylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-[2-(4-dimethylaminophenyl)pyridin-4-yl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-[2-(4-dimethylaminophenyl)-4-pyridyl]-3-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile Formula: C25H23N5O MolecularWeight: 409.48302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)C4=CC=C(C=C4)N(C)C)CC#N)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)C4=CC=C(C=C4)N(C)C)CC#N)O

InChI

InChI=1S/C25H23N5O/c1-17-12-20(14-22(31)13-17)25-23(16-30(28-25)11-9-26)19-8-10-27-24(15-19)18-4-6-21(7-5-18)29(2)3/h4-8,10,12-16,31H,11H2,1-3H3