N-[(4E)-4-[[(2-ethoxyphenyl)amino]methylidene]-5-methyl-3-oxidanylidene-6-pyrazol-1-yl-cyclohexa-1,5-dien-1-yl]propanamide

Systemtic Name: N-[(4E)-4-[[(2-ethoxyphenyl)amino]methylidene]-5-methyl-3-oxidanylidene-6-pyrazol-1-yl-cyclohexa-1,5-dien-1-yl]propanamide Openeye Name: N-[(4E)-4-[(2-ethoxyanilino)methylene]-5-methyl-3-oxo-6-pyrazol-1-yl-cyclohexa-1,5-dien-1-yl]propanamide CAS Name: N-[(4E)-4-[(2-ethoxyanilino)methylidene]-5-methyl-3-oxo-6-(1-pyrazolyl)-1-cyclohexa-1,5-dienyl]propanamide IUPAC Name: N-[(4E)-4-[(2-ethoxyanilino)methylidene]-5-methyl-3-oxo-6-pyrazol-1-ylcyclohexa-1,5-dien-1-yl]propanamide Traditional Name: N-[(4E)-3-keto-5-methyl-4-(o-phenetidinomethylene)-6-pyrazol-1-yl-cyclohexa-1,5-dien-1-yl]propionamide Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=O)C(=CNC2=CC=CC=C2OCC)C(=C1N3C=CC=N3)C

Isomeric SMILES

CCC(=O)NC1=CC(=O)/C(=C/NC2=CC=CC=C2OCC)/C(=C1N3C=CC=N3)C

InChI

InChI=1S/C22H24N4O3/c1-4-21(28)25-18-13-19(27)16(15(3)22(18)26-12-8-11-24-26)14-23-17-9-6-7-10-20(17)29-5-2/h6-14,23H,4-5H2,1-3H3,(H,25,28)/b16-14+