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

Systemtic Name: ethanedioic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: oxalic acid; [4-(3-phenoxybenzyl)piperazino]-(3-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=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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