1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H20N4O3/c25-19(23-12-8-15(9-13-23)20(26)27)17-14-21-24(16-6-2-1-3-7-16)18(17)22-10-4-5-11-22/h1-7,10-11,14-15H,8-9,12-13H2,(H,26,27)