(4E)-7-fluoranyl-4-[(1-phenylpyrazol-4-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-7-fluoranyl-4-[(1-phenylpyrazol-4-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-fluoro-4-[(1-phenylpyrazol-4-yl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-fluoro-4-[(1-phenyl-4-pyrazolyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-fluoro-4-[(1-phenylpyrazol-4-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-fluoro-4-[(1-phenylpyrazol-4-yl)methylene]-2,3-dihydro-1-benzoxepin-5-one Formula: C20H15FN2O2 MolecularWeight: 334.343703

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)F)C(=O)C1=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C\1COC2=C(C=C(C=C2)F)C(=O)/C1=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H15FN2O2/c21-16-6-7-19-18(11-16)20(24)15(8-9-25-19)10-14-12-22-23(13-14)17-4-2-1-3-5-17/h1-7,10-13H,8-9H2/b15-10+