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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2S/c1-2-3-6-11-26-20(28)15-8-5-4-7-14(15)18(25-26)19(27)24-21-23-16-10-9-13(22)12-17(16)29-21/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,23,24,27)