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

Systemtic Name: propan-2-yl 5-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN4O3/c1-12(2)28-20(27)17-13(3)18(23-14(17)4)19(26)25-9-7-24(8-10-25)16-6-5-15(21)11-22-16/h5-6,11-12,23H,7-10H2,1-4H3