4-[(5-chloranyl-2-octoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(5-chloranyl-2-octoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(5-chloro-2-octoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(5-chloro-2-octoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5-chloro-2-octoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(5-chloro-2-octoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H29ClN2O2 MolecularWeight: 424.96296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Cl)C=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Cl)C=C2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H29ClN2O2/c1-3-4-5-6-7-11-16-30-24-15-14-21(26)17-20(24)18-23-19(2)27-28(25(23)29)22-12-9-8-10-13-22/h8-10,12-15,17-18H,3-7,11,16H2,1-2H3