N-[(4-fluorophenyl)methyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2/c1-2-3-4-7-14-26-22(28)19-9-6-5-8-18(19)20(25-26)21(27)24-15-16-10-12-17(23)13-11-16/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,27)