3-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C21H18N4O4/c1-14-7-9-15(10-8-14)24(12-4-11-22)18(26)13-25-20(27)17-6-3-2-5-16(17)19(23-25)21(28)29/h2-3,5-10H,4,12-13H2,1H3,(H,28,29)