3-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C17H18N4O4/c1-10(2)17(3,9-18)19-13(22)8-21-15(23)12-7-5-4-6-11(12)14(20-21)16(24)25/h4-7,10H,8H2,1-3H3,(H,19,22)(H,24,25)