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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O3/c1-3-31-23(30)16-10-13-27(14-11-16)22(29)21-15-19(20-5-4-12-26(20)2)25-28(21)18-8-6-17(24)7-9-18/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3