4-[(5R)-5-(4-butoxyphenyl)-1-ethanoyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(5R)-5-(4-butoxyphenyl)-1-ethanoyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(5R)-1-acetyl-5-(4-butoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(5R)-1-acetyl-5-(4-butoxyphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(5R)-1-acetyl-5-(4-butoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(5R)-1-acetyl-5-(4-butoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NN2C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2CC(=C3C=CC(=O)C=C3)NN2C(=O)C

InChI

InChI=1S/C21H24N2O3/c1-3-4-13-26-19-11-7-17(8-12-19)21-14-20(22-23(21)15(2)24)16-5-9-18(25)10-6-16/h5-12,21-22H,3-4,13-14H2,1-2H3/t21-/m1/s1