2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2,2-diphenyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2,2-diphenyl-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2,2-diphenyl-1-[4-(3-pyridylmethyl)piperazino]ethanone; oxalic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O.C2H2O4/c28-24(23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-16-14-26(15-17-27)19-20-8-7-13-25-18-20;3-1(4)2(5)6/h1-13,18,23H,14-17,19H2;(H,3,4)(H,5,6)