[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H27N3O4/c1-13(21(28)24-23-10-14-6-15(11-23)8-16(7-14)12-23)30-20(27)9-19-17-4-2-3-5-18(17)22(29)26-25-19/h2-5,13-16H,6-12H2,1H3,(H,24,28)(H,26,29)/t13-,14?,15?,16?,23?/m1/s1