4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(2-p-cumenylethylamino)ethyl]phthalazine-1-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-14(2)16-9-7-15(8-10-16)11-12-23-19(26)13-25-21(27)18-6-4-3-5-17(18)20(24-25)22(28)29/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,28,29)