ethanedioic acid; (4-phenylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-phenylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: oxalic acid; (4-phenylphenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: oxalic acid; (4-phenylphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: oxalic acid; (4-phenylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: oxalic acid; (4-phenylphenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O.C2H2O4/c27-23(22-8-6-21(7-9-22)20-4-2-1-3-5-20)26-16-14-25(15-17-26)18-19-10-12-24-13-11-19;3-1(4)2(5)6/h1-13H,14-18H2;(H,3,4)(H,5,6)