[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C23H22N4O4/c1-15-10-16(2)12-17(11-15)27(9-5-8-24)21(28)14-31-22(29)13-20-18-6-3-4-7-19(18)23(30)26-25-20/h3-4,6-7,10-12H,5,9,13-14H2,1-2H3,(H,26,30)