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

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: oxalic acid; 4-pyridyl-(4-veratrylpiperazino)methanone Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3)OC.C(=O)(C(=O)O)O

InChI

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