4-[4-(phenylmethyl)piperazin-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]pyridine-2-carboxylic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)pyridine-2-carboxylic acid CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-2-pyridinecarboxylic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)pyridine-2-carboxylic acid Traditional Name: 4-(4-benzylpiperazino)picolinic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC=C3)C(=O)O

InChI

InChI=1S/C17H19N3O2/c21-17(22)16-12-15(6-7-18-16)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22)