3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,5-dimethylhexylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,5-dimethylhexylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C19H25N3O4/c1-12(2)7-6-8-13(3)20-16(23)11-22-18(24)15-10-5-4-9-14(15)17(21-22)19(25)26/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,20,23)(H,25,26)