2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanyl-4-[(pyridin-4-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanyl-4-[(pyridin-4-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-hydroxy-4-[(4-pyridylmethylamino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-4-[(pyridin-4-ylmethylamino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-4-[(pyridin-4-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-hydroxy-4-[(4-pyridylmethylamino)methylene]cyclohexa-2,5-dien-1-one Formula: C20H16ClFN2O2 MolecularWeight: 370.804643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=C(C(=CNCC3=CC=NC=C3)C=CC2=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=C(C(=CNCC3=CC=NC=C3)C=CC2=O)O)F

InChI

InChI=1S/C20H16ClFN2O2/c21-17-2-1-3-18(22)15(17)10-16-19(25)5-4-14(20(16)26)12-24-11-13-6-8-23-9-7-13/h1-9,12,24,26H,10-11H2