[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(3-chlorobenzyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O.C2H2O4/c18-16-3-1-2-14(12-16)13-20-8-10-21(11-9-20)17(22)15-4-6-19-7-5-15;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)