6-[(5S)-1-(2-ethylbutanoyl)-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-1-(2-ethyl-1-oxobutyl)-5-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-phenylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=C2C=CC=CC2=O)N1)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)N1[C@@H](CC(=C2C=CC=CC2=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-3-15(4-2)21(25)23-19(16-10-6-5-7-11-16)14-18(22-23)17-12-8-9-13-20(17)24/h5-13,15,19,22H,3-4,14H2,1-2H3/t19-/m0/s1