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

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-14(22(29)25-24-11-15-7-16(12-24)9-17(8-15)13-24)31-21(28)10-20-18-5-3-4-6-19(18)23(30)27(2)26-20/h3-6,14-17H,7-13H2,1-2H3,(H,25,29)