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

Systemtic Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: (4-o-veratrylpiperazino)-(4-pyridyl)methanone; oxalic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

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