N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2S/c1-2-3-4-7-12-27-21(29)16-9-6-5-8-15(16)19(26-27)20(28)25-22-24-17-11-10-14(23)13-18(17)30-22/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,24,25,28)