5-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C20H21BrN3O3- MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC5=C4C(=O)NN=C5[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)NC4=CC=CC5=C4C(=O)NN=C5[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)/p-1/t11-,12+,19?,20?