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

Systemtic Name: (2Z)-2-[[3-(3-chloranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(3-chloro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,6-dimethyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-coumaran-3-one Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)O2)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)/O2)C

InChI

InChI=1S/C27H21ClN2O3/c1-16-11-21-24(12-17(16)2)33-25(27(21)31)14-19-15-30(20-7-5-4-6-8-20)29-26(19)18-9-10-23(32-3)22(28)13-18/h4-15H,1-3H3/b25-14-