ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-phenyl-propanamide

Systemtic Name: ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-phenyl-propanamide Openeye Name: N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: oxalic acid; N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-N-phenylpropanamide IUPAC Name: oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide Traditional Name: N-[1-methyl-2-(4-phenethylpiperazino)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C28H37N3O9 MolecularWeight: 559.60808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3O.2C2H2O4/c1-3-24(28)27(23-12-8-5-9-13-23)21(2)20-26-18-16-25(17-19-26)15-14-22-10-6-4-7-11-22;2*3-1(4)2(5)6/h4-13,21H,3,14-20H2,1-2H3;2*(H,3,4)(H,5,6)