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

Systemtic Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(4-fluorophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(4-fluorophenyl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-(1-azepanylmethyl)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ylmethyl)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ylmethyl)-2-(4-fluorobenzylidene)-6-hydroxy-coumaran-3-one Formula: C22H22FNO3 MolecularWeight: 367.413383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO3/c23-16-7-5-15(6-8-16)13-20-21(26)17-9-10-19(25)18(22(17)27-20)14-24-11-3-1-2-4-12-24/h5-10,13,25H,1-4,11-12,14H2/b20-13-