(2Z)-5-chloranyl-2-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-chloranyl-2-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-chloro-benzofuran-3-one CAS Name: (2Z)-5-chloro-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-chloro-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-chloro-coumaran-3-one Formula: C28H21ClN2O3 MolecularWeight: 468.93094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5)OCC=C

InChI

InChI=1S/C28H21ClN2O3/c1-3-13-33-24-11-9-19(14-18(24)2)27-20(17-31(30-27)22-7-5-4-6-8-22)15-26-28(32)23-16-21(29)10-12-25(23)34-26/h3-12,14-17H,1,13H2,2H3/b26-15-