1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(2,5-dimethyl-1-pyrrolyl)-5-methyl-2-phenyl-3-pyrazolyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenylpyrazol-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]isonipecotic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(N(N=C2C)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(N(N=C2C)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)C

InChI

InChI=1S/C22H26N4O2/c1-15-9-10-16(2)25(15)20-17(3)23-26(19-7-5-4-6-8-19)21(20)24-13-11-18(12-14-24)22(27)28/h4-10,18H,11-14H2,1-3H3,(H,27,28)