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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H21ClN2O3/c1-2-14-32-22-11-8-18(9-12-22)26-19(17-30(29-26)21-6-4-3-5-7-21)15-25-27(31)23-16-20(28)10-13-24(23)33-25/h3-13,15-17H,2,14H2,1H3/b25-15-