1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)O

InChI

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