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

Systemtic Name: methyl 6-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)amino]-piperonylic acid methyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)OCO2

InChI

InChI=1S/C23H18N4O5/c1-30-23(29)16-11-19-20(32-14-31-19)12-18(16)25-21(28)17-13-24-27(15-7-3-2-4-8-15)22(17)26-9-5-6-10-26/h2-13H,14H2,1H3,(H,25,28)