ethyl 1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-2-29-22(28)17-10-14-25(15-11-17)21(27)19-16-23-26(18-8-4-3-5-9-18)20(19)24-12-6-7-13-24/h3-9,12-13,16-17H,2,10-11,14-15H2,1H3