(E)-3-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal

Systemtic Name: (E)-3-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal Openeye Name: (E)-3-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal CAS Name: (E)-3-[1-(2,5-dimethylphenyl)-5-methyl-3-pyrazolyl]-2-butenal IUPAC Name: (E)-3-[1-(2,5-dimethylphenyl)-5-methylpyrazol-3-yl]but-2-enal Traditional Name: (E)-3-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C(=CC=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)/C(=C/C=O)/C)C

InChI

InChI=1S/C16H18N2O/c1-11-5-6-13(3)16(9-11)18-14(4)10-15(17-18)12(2)7-8-19/h5-10H,1-4H3/b12-7+