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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,4-dimethoxyphenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,4-dimethoxyphenyl)-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,4-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,4-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=C(C=C1)C(=O)N2CCN(CC2)CC3=CN=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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