[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate CAS Name: 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate Traditional Name: 3-keto-2,4-dihydro-1H-pyridazine-6-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CCC(=O)NN3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CCC(=O)NN3

InChI

InChI=1S/C21H23N3O4/c1-14-12-17(15(2)24(14)11-10-16-6-4-3-5-7-16)19(25)13-28-21(27)18-8-9-20(26)23-22-18/h3-8,12,22H,9-11,13H2,1-2H3,(H,23,26)