N-(1-adamantyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(1-adamantyl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(1-adamantyl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(1-adamantyl)-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

InChI

InChI=1S/C24H25N3O2S/c28-21(25-24-11-15-8-16(12-24)10-17(9-15)13-24)14-27-23(29)19-5-2-1-4-18(19)22(26-27)20-6-3-7-30-20/h1-7,15-17H,8-14H2,(H,25,28)