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

Systemtic Name: ethyl 3-[(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonylamino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-[(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C28H29BrN4O4 MolecularWeight: 565.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)NC2=C(N(C=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)NC2=C(N(C=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H29BrN4O4/c1-5-33-25(23(29)18(3)31-33)27(34)30-24-22(20-12-14-21(36-4)15-13-20)17-32(26(24)28(35)37-6-2)16-19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,30,34)