ethanedioic acid; 4-[[4-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[[4-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: oxalic acid; 4-[[4-(2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]benzonitrile CAS Name: oxalic acid; 4-[[4-[2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: oxalic acid; 4-[[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-keto-1-phenyl-2-pyrrolidino-ethyl)piperazino]methyl]benzonitrile; oxalic acid Formula: C28H32N4O9 MolecularWeight: 568.57508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4O.2C2H2O4/c25-18-20-8-10-21(11-9-20)19-26-14-16-27(17-15-26)23(22-6-2-1-3-7-22)24(29)28-12-4-5-13-28;2*3-1(4)2(5)6/h1-3,6-11,23H,4-5,12-17,19H2;2*(H,3,4)(H,5,6)