3-[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-3-6-18(26)23-15-11-9-14(10-12-15)20(27)13(2)25-21(28)17-8-5-4-7-16(17)19(24-25)22(29)30/h4-5,7-13H,3,6H2,1-2H3,(H,23,26)(H,29,30)