N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-2-(3-bromanyl-1-adamantyl)ethanamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(1,4-diketo-2,3-dihydrophthalazin-5-yl)acetamide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC5=C4C(=O)NNC5=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC5=C4C(=O)NNC5=O

InChI

InChI=1S/C20H22BrN3O3/c21-20-7-11-4-12(8-20)6-19(5-11,10-20)9-15(25)22-14-3-1-2-13-16(14)18(27)24-23-17(13)26/h1-3,11-12H,4-10H2,(H,22,25)(H,23,26)(H,24,27)