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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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