(E)-4-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal

Systemtic Name: (E)-4-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal Openeye Name: (E)-4-[1-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]but-2-enal CAS Name: (E)-4-[1-(2,5-dimethylphenyl)-5-methyl-3-pyrazolyl]-2-butenal IUPAC Name: (E)-4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-3-yl]but-2-enal Traditional Name: (E)-4-[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)CC=CC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O/c1-12-7-8-13(2)16(10-12)18-14(3)11-15(17-18)6-4-5-9-19/h4-5,7-11H,6H2,1-3H3/b5-4+