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

Systemtic Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxidanylidene-5-(1-phenylpropan-2-yl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2,4-dimethyl-5-[[3-(1-methyl-2-phenyl-ethyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (5E)-2,4-dimethyl-5-[[3-oxo-5-(1-phenylpropan-2-yl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxo-5-(1-phenylpropan-2-yl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrole-3-carboxylate Traditional Name: (5E)-5-[[3-keto-5-(1-methyl-2-phenyl-ethyl)-3-pyrazolin-4-yl]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)C(C)CC3=CC=CC=C3)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)C(C)CC3=CC=CC=C3)/N=C1C)C

InChI

InChI=1S/C22H25N3O3/c1-5-28-22(27)19-14(3)18(23-15(19)4)12-17-20(24-25-21(17)26)13(2)11-16-9-7-6-8-10-16/h6-10,12-13H,5,11H2,1-4H3,(H2,24,25,26)/b18-12+