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

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-14(2)11-24(12-15(3)4)19(26)13-29-22(28)20-17-9-7-8-10-18(17)21(27)25(23-20)16(5)6/h7-10,14-16H,11-13H2,1-6H3