methyl 5-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(5-bromopyridin-2-yl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O3/c1-11-15(18(25)26-3)12(2)21-16(11)17(24)23-8-6-22(7-9-23)14-5-4-13(19)10-20-14/h4-5,10,21H,6-9H2,1-3H3