[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C23H25N3O5/c1-23(2,3)15-8-10-16(11-9-15)30-13-12-24-19(27)14-31-22(29)20-17-6-4-5-7-18(17)21(28)26-25-20/h4-11H,12-14H2,1-3H3,(H,24,27)(H,26,28)