ethanedioic acid; N-(3-methylphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide

Systemtic Name: ethanedioic acid; N-(3-methylphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide Openeye Name: N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-N-(m-tolyl)propanamide; oxalic acid CAS Name: N-(3-methylphenyl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid IUPAC Name: N-(3-methylphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid Traditional Name: N-[1-methyl-2-(4-phenethylpiperazino)ethyl]-N-(m-tolyl)propionamide; oxalic acid Formula: C29H39N3O9 MolecularWeight: 573.63466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35N3O.2C2H2O4/c1-4-25(29)28(24-12-8-9-21(2)19-24)22(3)20-27-17-15-26(16-18-27)14-13-23-10-6-5-7-11-23;2*3-1(4)2(5)6/h5-12,19,22H,4,13-18,20H2,1-3H3;2*(H,3,4)(H,5,6)