[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H23N3O4/c1-4-14-9-8-10-15(5-2)19(14)23-18(26)13-29-22(28)20-16-11-6-7-12-17(16)21(27)25(3)24-20/h6-12H,4-5,13H2,1-3H3,(H,23,26)