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

Systemtic Name: methyl 6-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[[3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-piperonylic acid methyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22N4O5/c1-15-6-8-17(9-7-15)29-24(28-10-4-5-11-28)22(16(2)27-29)23(30)26-19-13-21-20(33-14-34-21)12-18(19)25(31)32-3/h4-13H,14H2,1-3H3,(H,26,30)