N-(4-dimethylaminophenyl)-2-(4-ethanoylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(4-dimethylaminophenyl)-2-(4-ethanoylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-(4-dimethylaminophenyl)propanamide; oxalic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-N-(4-dimethylaminophenyl)propanamide; oxalic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-(4-dimethylaminophenyl)propanamide; oxalic acid Traditional Name: 2-(4-acetylpiperazino)-N-(4-dimethylaminophenyl)propionamide; oxalic acid Formula: C21H30N4O10 MolecularWeight: 498.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)N2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)N2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N4O2.2C2H2O4/c1-13(20-9-11-21(12-10-20)14(2)22)17(23)18-15-5-7-16(8-6-15)19(3)4;2*3-1(4)2(5)6/h5-8,13H,9-12H2,1-4H3,(H,18,23);2*(H,3,4)(H,5,6)