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

Systemtic Name: ethanedioic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: oxalic acid; [4-(3-phenoxybenzyl)piperazino]-(4-pyridyl)methanone Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23N3O2.C2H2O4/c27-23(20-9-11-24-12-10-20)26-15-13-25(14-16-26)18-19-5-4-8-22(17-19)28-21-6-2-1-3-7-21;3-1(4)2(5)6/h1-12,17H,13-16,18H2;(H,3,4)(H,5,6)