[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C

InChI

InChI=1S/C23H25N3O4/c1-14(2)12-26-22(28)19-8-6-5-7-18(19)21(25-26)23(29)30-13-20(27)24-17-10-15(3)9-16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,24,27)