N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C25H25FN4O3S/c1-3-4-5-8-13-30-24(32)18-10-7-6-9-17(18)22(29-30)23(31)28-25-27-20(15-34-25)16-11-12-21(33-2)19(26)14-16/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,27,28,31)