3-[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(hexanoylamino)phenyl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(caproylamino)phenyl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C23H23N3O5/c1-2-3-4-9-20(28)24-16-12-10-15(11-13-16)19(27)14-26-22(29)18-8-6-5-7-17(18)21(25-26)23(30)31/h5-8,10-13H,2-4,9,14H2,1H3,(H,24,28)(H,30,31)