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

Systemtic Name: 4-[5-(3-bromophenyl)-1-pyridin-3-ylcarbonyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3-bromophenyl)-1-(pyridine-3-carbonyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3-bromophenyl)-1-[oxo(3-pyridinyl)methyl]-3-pyrazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3-bromophenyl)-1-(pyridine-3-carbonyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3-bromophenyl)-1-nicotinoyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C=CC(=O)C=C2)C(=O)C3=CN=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C(N(NC1=C2C=CC(=O)C=C2)C(=O)C3=CN=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H16BrN3O2/c22-17-5-1-3-15(11-17)20-12-19(14-6-8-18(26)9-7-14)24-25(20)21(27)16-4-2-10-23-13-16/h1-11,13,20,24H,12H2