5-(2-ethylhexyl)-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-(2-ethylhexyl)-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 5-(2-ethylhexyl)-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-(2-ethylhexyl)-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 5-(2-ethylhexyl)-1-methyl-2-phenylpyrazol-3-one Traditional Name: 5-(2-ethylhexyl)-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H26N2O MolecularWeight: 286.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC(=O)N(N1C)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CC1=CC(=O)N(N1C)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O/c1-4-6-10-15(5-2)13-17-14-18(21)20(19(17)3)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3