(2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,6-dimethyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-coumaran-3-one Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c1-4-5-15-34-25-13-11-22(12-14-25)29-23(19-32(31-29)24-9-7-6-8-10-24)18-28-30(33)26-16-20(2)21(3)17-27(26)35-28/h6-14,16-19H,4-5,15H2,1-3H3/b28-18-