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

Systemtic Name: (4E)-4-[(3-chloranyl-4-propoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-chloro-4-propoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-chloro-4-propoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-chloro-4-propoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(3-chloro-4-propoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C20H19ClN2O2/c1-3-11-25-19-10-9-15(13-18(19)21)12-17-14(2)22-23(20(17)24)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/b17-12+