1-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]ethanone

Systemtic Name: 1-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]ethanone Openeye Name: 1-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]ethanone CAS Name: 1-[1-methyl-5-(4-octoxyphenyl)-3-pyrazolyl]ethanone IUPAC Name: 1-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]ethanone Traditional Name: 1-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]ethanone Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)C

InChI

InChI=1S/C20H28N2O2/c1-4-5-6-7-8-9-14-24-18-12-10-17(11-13-18)20-15-19(16(2)23)21-22(20)3/h10-13,15H,4-9,14H2,1-3H3