(3,5-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,5-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,5-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-[4-(4-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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