diphenyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanol; ethanedioic acid

Systemtic Name: diphenyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanol; ethanedioic acid Openeye Name: diphenyl-[4-(3-pyridylmethyl)piperazin-1-yl]methanol; oxalic acid CAS Name: diphenyl-[4-(3-pyridinylmethyl)-1-piperazinyl]methanol; oxalic acid IUPAC Name: diphenyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanol; oxalic acid Traditional Name: diphenyl-[4-(3-pyridylmethyl)piperazino]methanol; oxalic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O.C2H2O4/c27-23(21-9-3-1-4-10-21,22-11-5-2-6-12-22)26-16-14-25(15-17-26)19-20-8-7-13-24-18-20;3-1(4)2(5)6/h1-13,18,27H,14-17,19H2;(H,3,4)(H,5,6)