N-(5-chloranyl-2-methyl-phenyl)-2-(4-ethanoylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-(4-ethanoylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-(5-chloro-2-methyl-phenyl)acetamide; oxalic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-N-(5-chloro-2-methylphenyl)acetamide; oxalic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-(5-chloro-2-methylphenyl)acetamide; oxalic acid Traditional Name: 2-(4-acetylpiperazino)-N-(5-chloro-2-methyl-phenyl)acetamide; oxalic acid Formula: C17H22ClN3O6 MolecularWeight: 399.82608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20ClN3O2.C2H2O4/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20;3-1(4)2(5)6/h3-4,9H,5-8,10H2,1-2H3,(H,17,21);(H,3,4)(H,5,6)