(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (2,6-dimethoxyphenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2,6-dimethoxyphenyl)-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2,6-dimethoxyphenyl)-[4-(3-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O3.C2H2O4/c1-24-16-6-3-7-17(25-2)18(16)19(23)22-11-9-21(10-12-22)14-15-5-4-8-20-13-15;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)