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

Systemtic Name: ethanedioic acid; N-phenyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide Openeye Name: N-[1-methyl-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: oxalic acid; N-phenyl-N-[1-(4-phenyl-1-piperazinyl)propan-2-yl]propanamide IUPAC Name: oxalic acid; N-phenyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide Traditional Name: N-[1-methyl-2-(4-phenylpiperazino)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C46H60N6O6 MolecularWeight: 793.0052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H29N3O.C2H2O4/c2*1-3-22(26)25(21-12-8-5-9-13-21)19(2)18-23-14-16-24(17-15-23)20-10-6-4-7-11-20;3-1(4)2(5)6/h2*4-13,19H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)