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

Systemtic Name: ethyl 1-[1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)N4C=CC=C4

InChI

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