3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]phthalazine-1-carboxylic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-3-12(15(22)18-13-8-9(2)26-20-13)21-16(23)11-7-5-4-6-10(11)14(19-21)17(24)25/h4-8,12H,3H2,1-2H3,(H,24,25)(H,18,20,22)