ethyl 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-(1-phenyl-4-pyrazolyl)ethylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O3/c1-4-28-21(27)18-14(2)19(24-15(18)3)20(26)22-11-10-16-12-23-25(13-16)17-8-6-5-7-9-17/h5-9,12-13,24H,4,10-11H2,1-3H3,(H,22,26)