methyl 2-[[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC=C3C(=O)OC)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC=C3C(=O)OC)N4C=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)27-22(26-13-5-6-14-26)19(15-24-27)21(28)25-20-8-4-3-7-18(20)23(29)30-2/h3-15H,1-2H3,(H,25,28)