ethyl (5E)-2,4-dimethyl-5-[[3-oxidanylidene-5-(1-pyridin-2-ylethyl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxidanylidene-5-(1-pyridin-2-ylethyl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxo-5-[1-(2-pyridyl)ethyl]-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (5E)-2,4-dimethyl-5-[[3-oxo-5-[1-(2-pyridinyl)ethyl]-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxo-5-(1-pyridin-2-ylethyl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrole-3-carboxylate Traditional Name: (5E)-5-[[3-keto-5-[1-(2-pyridyl)ethyl]-3-pyrazolin-4-yl]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)C(C)C3=CC=CC=N3)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)C(C)C3=CC=CC=N3)/N=C1C)C

InChI

InChI=1S/C20H22N4O3/c1-5-27-20(26)17-11(2)16(22-13(17)4)10-14-18(23-24-19(14)25)12(3)15-8-6-7-9-21-15/h6-10,12H,5H2,1-4H3,(H2,23,24,25)/b16-10+