(2Z)-7-(azepan-1-ylmethyl)-2-[(2,4-dichlorophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(2,4-dichlorophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(2,4-dichlorophenyl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-(1-azepanylmethyl)-2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ylmethyl)-2-(2,4-dichlorobenzylidene)-6-hydroxy-coumaran-3-one Formula: C22H21Cl2NO3 MolecularWeight: 418.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=C(C=C4)Cl)Cl)C3=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=C(C=C4)Cl)Cl)/C3=O)O

InChI

InChI=1S/C22H21Cl2NO3/c23-15-6-5-14(18(24)12-15)11-20-21(27)16-7-8-19(26)17(22(16)28-20)13-25-9-3-1-2-4-10-25/h5-8,11-12,26H,1-4,9-10,13H2/b20-11-