N'-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]-4-keto-phthalazine-1-carbohydrazide Formula: C25H25FN4O4S MolecularWeight: 496.553803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

InChI

InChI=1S/C25H25FN4O4S/c1-3-4-7-13-30-25(33)16-10-6-5-9-15(16)21(29-30)23(31)27-28-24(32)22-17(14-34-2)20-18(26)11-8-12-19(20)35-22/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,27,31)(H,28,32)