(phenylmethyl) 4-(5-bromanyl-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyridin-2-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-bromanyl-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyridin-2-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-[5-bromo-1-methyl-6-oxo-4-(4-pyridyl)-2-pyridyl]piperidine-1-carboxylate CAS Name: 4-(5-bromo-1-methyl-6-oxo-4-pyridin-4-yl-2-pyridinyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-1-methyl-6-oxo-4-pyridin-4-ylpyridin-2-yl)piperidine-1-carboxylate Traditional Name: 4-[5-bromo-6-keto-1-methyl-4-(4-pyridyl)-2-pyridyl]piperidine-1-carboxylic acid benzyl ester Formula: C24H24BrN3O3 MolecularWeight: 482.36966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C(C1=O)Br)C2=CC=NC=C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=C(C1=O)Br)C2=CC=NC=C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24BrN3O3/c1-27-21(15-20(22(25)23(27)29)18-7-11-26-12-8-18)19-9-13-28(14-10-19)24(30)31-16-17-5-3-2-4-6-17/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3