N-(5-acetamido-2-fluoranyl-phenyl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-acetamido-2-fluoranyl-phenyl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-acetamido-2-fluoro-phenyl)-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-acetamido-2-fluorophenyl)-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-acetamido-2-fluorophenyl)-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-acetamido-2-fluoro-phenyl)-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F

InChI

InChI=1S/C21H21FN4O3/c1-3-4-11-26-21(29)16-8-6-5-7-15(16)19(25-26)20(28)24-18-12-14(23-13(2)27)9-10-17(18)22/h5-10,12H,3-4,11H2,1-2H3,(H,23,27)(H,24,28)