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

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=NNC(=O)CC3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C20H21N3O4/c1-13-10-16(14(2)23(13)11-15-6-4-3-5-7-15)18(24)12-27-20(26)17-8-9-19(25)22-21-17/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,25)