N-(4-chloranyl-2-fluoranyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C21H21ClFN3O2 MolecularWeight: 401.861743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H21ClFN3O2/c1-2-3-4-7-12-26-21(28)16-9-6-5-8-15(16)19(25-26)20(27)24-18-11-10-14(22)13-17(18)23/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,24,27)