4-[5-(5-bromanyl-2-methoxy-phenyl)-1-pyridin-3-ylcarbonyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(5-bromanyl-2-methoxy-phenyl)-1-pyridin-3-ylcarbonyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(5-bromo-2-methoxy-phenyl)-1-(pyridine-3-carbonyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(5-bromo-2-methoxyphenyl)-1-[oxo(3-pyridinyl)methyl]-3-pyrazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(5-bromo-2-methoxyphenyl)-1-(pyridine-3-carbonyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(5-bromo-2-methoxy-phenyl)-1-nicotinoyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2CC(=C3C=CC(=O)C=C3)NN2C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2CC(=C3C=CC(=O)C=C3)NN2C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H18BrN3O3/c1-29-21-9-6-16(23)11-18(21)20-12-19(14-4-7-17(27)8-5-14)25-26(20)22(28)15-3-2-10-24-13-15/h2-11,13,20,25H,12H2,1H3