2-(4-chloranylphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-chlorophenoxy)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-chlorophenoxy)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-chlorophenoxy)-1-[4-(3-pyridylmethyl)piperazino]ethanone; oxalic acid Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20ClN3O2.C2H2O4/c19-16-3-5-17(6-4-16)24-14-18(23)22-10-8-21(9-11-22)13-15-2-1-7-20-12-15;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)