(4E)-2-(4-ethylphenyl)-4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-ethylphenyl)-4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-ethylphenyl)-4-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-ethylphenyl)-4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-ethylphenyl)-4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-ethylphenyl)-4-(4-isoamoxy-3-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCCC(C)C)OC)C(=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCCC(C)C)OC)/C(=N2)C

InChI

InChI=1S/C25H30N2O3/c1-6-19-7-10-21(11-8-19)27-25(28)22(18(4)26-27)15-20-9-12-23(24(16-20)29-5)30-14-13-17(2)3/h7-12,15-17H,6,13-14H2,1-5H3/b22-15+