4-[(4-methanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-formyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzonitrile CAS Name: 4-[(4-formyl-3,5-dimethyl-1-pyrazolyl)methyl]benzonitrile IUPAC Name: 4-[(4-formyl-3,5-dimethylpyrazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-formyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzonitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)C=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)C=O

InChI

InChI=1S/C14H13N3O/c1-10-14(9-18)11(2)17(16-10)8-13-5-3-12(7-15)4-6-13/h3-6,9H,8H2,1-2H3