[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCO

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCO

InChI

InChI=1S/C21H29N3O5/c1-14(2)11-23(12-15(3)4)18(26)13-29-21(28)19-16-7-5-6-8-17(16)20(27)24(22-19)9-10-25/h5-8,14-15,25H,9-13H2,1-4H3