[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c26-18(23-22-8-13-5-14(9-22)7-15(6-13)10-22)12-30-19(27)11-25-21(29)17-4-2-1-3-16(17)20(28)24-25/h1-4,13-15H,5-12H2,(H,23,26)(H,24,28)