[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H25N3O5/c1-5-12-24-18(26)11-10-16(23-24)19(27)29-13-17(25)14-6-8-15(9-7-14)22-20(28)21(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,22,28)