[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H22BrN3O3/c1-14(27-20(26)15-11-16(21)13-22-12-15)19(25)23-17-5-7-18(8-6-17)24-9-3-2-4-10-24/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,25)