ethyl 4-[(4E)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propylpyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H24N2O3/c1-3-9-22-21(13-8-12-18-10-6-5-7-11-18)23(27)26(25-22)20-16-14-19(15-17-20)24(28)29-4-2/h5-8,10-17H,3-4,9H2,1-2H3/b12-8+,21-13+