6-[(5S)-1-ethanoyl-5-(3-methyl-1-phenyl-pyrazol-4-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-1-ethanoyl-5-(3-methyl-1-phenyl-pyrazol-4-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-1-acetyl-5-(3-methyl-1-phenyl-pyrazol-4-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-1-acetyl-5-(3-methyl-1-phenyl-4-pyrazolyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-1-acetyl-5-(3-methyl-1-phenylpyrazol-4-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-1-acetyl-5-(3-methyl-1-phenyl-pyrazol-4-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2CC(=C3C=CC=CC3=O)NN2C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1[C@@H]2CC(=C3C=CC=CC3=O)NN2C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-14-18(13-24(22-14)16-8-4-3-5-9-16)20-12-19(23-25(20)15(2)26)17-10-6-7-11-21(17)27/h3-11,13,20,23H,12H2,1-2H3/t20-/m0/s1