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

Systemtic Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(2-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-1-(2-ethyl-1-oxobutyl)-5-(2-methylphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(2-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=C2C=CC=CC2=O)N1)C3=CC=CC=C3C

Isomeric SMILES

CCC(CC)C(=O)N1[C@@H](CC(=C2C=CC=CC2=O)N1)C3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O2/c1-4-16(5-2)22(26)24-20(17-11-7-6-10-15(17)3)14-19(23-24)18-12-8-9-13-21(18)25/h6-13,16,20,23H,4-5,14H2,1-3H3/t20-/m0/s1