ethyl 1-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)N4C=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-3-30-23(29)18-10-14-26(15-11-18)22(28)20-16-24-27(19-8-6-17(2)7-9-19)21(20)25-12-4-5-13-25/h4-9,12-13,16,18H,3,10-11,14-15H2,1-2H3