[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4/c1-25(13-7-12-23)19(27)15-30-22(29)20-17-10-5-6-11-18(17)21(28)26(24-20)14-16-8-3-2-4-9-16/h2-6,8-11H,7,13-15H2,1H3