4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid Openeye Name: 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid CAS Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazine-2-carboxylic acid Traditional Name: 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C(=O)O)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1C(=O)O)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O2/c1-25-10-11-26(12-16(25)20(27)28)19-17(13-6-8-22-9-7-13)18(23-24-19)14-2-4-15(21)5-3-14/h2-9,16H,10-12H2,1H3,(H,23,24)(H,27,28)