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

Systemtic Name: 6-[(5S)-1-(4-methylphenyl)carbonyl-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-1-(4-methylbenzoyl)-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-1-[(4-methylphenyl)-oxomethyl]-5-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-1-(4-methylbenzoyl)-5-phenylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-5-phenyl-1-p-toluoyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2[C@@H](CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)23(27)25-21(17-7-3-2-4-8-17)15-20(24-25)19-9-5-6-10-22(19)26/h2-14,21,24H,15H2,1H3/t21-/m0/s1