methyl 2,4-dimethyl-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-[4-(1-pyrazolyl)phenyl]ethylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H22N4O3/c1-13-17(20(26)27-3)14(2)23-18(13)19(25)21-11-9-15-5-7-16(8-6-15)24-12-4-10-22-24/h4-8,10,12,23H,9,11H2,1-3H3,(H,21,25)