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

Systemtic Name: 3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C3(CCCCC3)C#N

InChI

InChI=1S/C19H20N4O4/c1-22(19(12-20)9-5-2-6-10-19)15(24)11-23-17(25)14-8-4-3-7-13(14)16(21-23)18(26)27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,26,27)