ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-(2-phenylphenyl)propionamide; oxalic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O.C2H2O4/c1-16(23-14-12-22(2)13-15-23)20(24)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-11,16H,12-15H2,1-2H3,(H,21,24);(H,3,4)(H,5,6)