2-[2,5-bis(chloranyl)phenyl]-1-methyl-5-undecyl-pyrazol-3-one

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]-1-methyl-5-undecyl-pyrazol-3-one Openeye Name: 2-(2,5-dichlorophenyl)-1-methyl-5-undecyl-pyrazol-3-one CAS Name: 2-(2,5-dichlorophenyl)-1-methyl-5-undecyl-3-pyrazolone IUPAC Name: 2-(2,5-dichlorophenyl)-1-methyl-5-undecylpyrazol-3-one Traditional Name: 2-(2,5-dichlorophenyl)-1-methyl-5-undecyl-3-pyrazolin-3-one Formula: C21H30Cl2N2O MolecularWeight: 397.3817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=O)N(N1C)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CC(=O)N(N1C)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C21H30Cl2N2O/c1-3-4-5-6-7-8-9-10-11-12-18-16-21(26)25(24(18)2)20-15-17(22)13-14-19(20)23/h13-16H,3-12H2,1-2H3