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

Systemtic Name: ethanedioic acid; (4-phenylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: oxalic acid; (4-phenylphenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: oxalic acid; (4-phenylphenyl)-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: oxalic acid; (4-phenylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: oxalic acid; (4-phenylphenyl)-[4-(3-pyridylmethyl)piperazino]methanone Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=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(22-10-8-21(9-11-22)20-6-2-1-3-7-20)26-15-13-25(14-16-26)18-19-5-4-12-24-17-19;3-1(4)2(5)6/h1-12,17H,13-16,18H2;(H,3,4)(H,5,6)