4-[5-(4-chlorophenyl)pyridin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[5-(4-chlorophenyl)pyridin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[5-(4-chlorophenyl)-2-pyridyl]piperazine-1-carboxylic acid CAS Name: 4-[5-(4-chlorophenyl)-2-pyridinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-(4-chlorophenyl)pyridin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[5-(4-chlorophenyl)-2-pyridyl]piperazine-1-carboxylic acid Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H16ClN3O2/c17-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-7-9-20(10-8-19)16(21)22/h1-6,11H,7-10H2,(H,21,22)