(4Z)-4-[5-(2-chlorophenyl)-1-pyridin-4-ylcarbonyl-pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[5-(2-chlorophenyl)-1-pyridin-4-ylcarbonyl-pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[5-(2-chlorophenyl)-1-(pyridine-4-carbonyl)pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[5-(2-chlorophenyl)-1-[oxo(pyridin-4-yl)methyl]-3-pyrazolidinylidene]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[5-(2-chlorophenyl)-1-(pyridine-4-carbonyl)pyrazolidin-3-ylidene]-2-methylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[5-(2-chlorophenyl)-1-isonicotinoyl-pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)C=CC1=O

Isomeric SMILES

CC1=C/C(=C\2/CC(N(N2)C(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)/C=CC1=O

InChI

InChI=1S/C22H18ClN3O2/c1-14-12-16(6-7-21(14)27)19-13-20(17-4-2-3-5-18(17)23)26(25-19)22(28)15-8-10-24-11-9-15/h2-12,20,25H,13H2,1H3/b19-16-