ethyl 4-(1,3-benzodioxol-5-yl)-3-[(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonylamino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H23BrN4O5 MolecularWeight: 503.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)NC2=C(N(C=C2C3=CC4=C(C=C3)OCO4)C)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)NC2=C(N(C=C2C3=CC4=C(C=C3)OCO4)C)C(=O)OCC

InChI

InChI=1S/C22H23BrN4O5/c1-5-27-19(17(23)12(3)25-27)21(28)24-18-14(10-26(4)20(18)22(29)30-6-2)13-7-8-15-16(9-13)32-11-31-15/h7-10H,5-6,11H2,1-4H3,(H,24,28)