ethyl 4-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)C)N4C=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-4-32-25(31)19-9-11-20(12-10-19)26-23(30)22-18(3)27-29(21-13-7-17(2)8-14-21)24(22)28-15-5-6-16-28/h5-16H,4H2,1-3H3,(H,26,30)