4-(5-bromanyl-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyridin-2-yl)piperidine-1-carboxylic acid

Systemtic Name: 4-(5-bromanyl-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyridin-2-yl)piperidine-1-carboxylic acid Openeye Name: 4-[5-bromo-1-methyl-6-oxo-4-(4-pyridyl)-2-pyridyl]piperidine-1-carboxylic acid CAS Name: 4-(5-bromo-1-methyl-6-oxo-4-pyridin-4-yl-2-pyridinyl)-1-piperidinecarboxylic acid IUPAC Name: 4-(5-bromo-1-methyl-6-oxo-4-pyridin-4-ylpyridin-2-yl)piperidine-1-carboxylic acid Traditional Name: 4-[5-bromo-6-keto-1-methyl-4-(4-pyridyl)-2-pyridyl]piperidine-1-carboxylic acid Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C(C1=O)Br)C2=CC=NC=C2)C3CCN(CC3)C(=O)O

Isomeric SMILES

CN1C(=CC(=C(C1=O)Br)C2=CC=NC=C2)C3CCN(CC3)C(=O)O

InChI

InChI=1S/C17H18BrN3O3/c1-20-14(12-4-8-21(9-5-12)17(23)24)10-13(15(18)16(20)22)11-2-6-19-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,23,24)