methyl 6-[[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-piperonylic acid methyl ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3C(=O)OC)OCO4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3C(=O)OC)OCO4)N5C=CC=C5

InChI

InChI=1S/C24H20N4O5/c1-15-5-7-16(8-6-15)28-23(27-9-3-4-10-27)18(13-25-28)22(29)26-19-12-21-20(32-14-33-21)11-17(19)24(30)31-2/h3-13H,14H2,1-2H3,(H,26,29)