6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(3-chlorobenzyl)piperazino]nicotinic acid Formula: C17H18ClN3O2 MolecularWeight: 331.79672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c18-15-3-1-2-13(10-15)12-20-6-8-21(9-7-20)16-5-4-14(11-19-16)17(22)23/h1-5,10-11H,6-9,12H2,(H,22,23)