methyl 6-[2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-(5-bromo-3-pyridinyl)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(5-bromopyridin-3-yl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C18H17BrN4O4 MolecularWeight: 433.25598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C18H17BrN4O4/c1-27-18(26)13-3-4-15(21-10-13)17(25)23-6-2-5-22(23)16(24)8-12-7-14(19)11-20-9-12/h3-4,7,9-11H,2,5-6,8H2,1H3