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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

InChI

InChI=1S/C26H29N3O2S/c1-16(26-12-17-9-18(13-26)11-19(10-17)14-26)27-23(30)15-29-25(31)21-6-3-2-5-20(21)24(28-29)22-7-4-8-32-22/h2-8,16-19H,9-15H2,1H3,(H,27,30)