ethyl 1-[2-(4-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-(p-tolyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-methylphenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(1-methylpyrrol-2-yl)-2-(p-tolyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CN4C

InChI

InChI=1S/C24H28N4O3/c1-4-31-24(30)18-11-14-27(15-12-18)23(29)22-16-20(21-6-5-13-26(21)3)25-28(22)19-9-7-17(2)8-10-19/h5-10,13,16,18H,4,11-12,14-15H2,1-3H3