3-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,4-dimethylpentylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,4-dimethylpentylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-11(2)8-9-12(3)19-15(22)10-21-17(23)14-7-5-4-6-13(14)16(20-21)18(24)25/h4-7,11-12H,8-10H2,1-3H3,(H,19,22)(H,24,25)