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

Systemtic Name: 6-[(5S)-5-(2-methylphenyl)-1-propanoyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-5-(o-tolyl)-1-propanoyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-5-(2-methylphenyl)-1-(1-oxopropyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-5-(2-methylphenyl)-1-propanoylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-5-(o-tolyl)-1-propionyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2/c1-3-19(23)21-17(14-9-5-4-8-13(14)2)12-16(20-21)15-10-6-7-11-18(15)22/h4-11,17,20H,3,12H2,1-2H3/t17-/m0/s1