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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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