N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide; ethanedioic acid

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide; oxalic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide; oxalic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide; oxalic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(1-cyano-1,2-dimethyl-propyl)acetamide; oxalic acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N4O2.C2H2O4/c1-15(2)20(4,14-21)22-19(26)13-23-9-11-24(12-10-23)18-7-5-17(6-8-18)16(3)25;3-1(4)2(5)6/h5-8,15H,9-13H2,1-4H3,(H,22,26);(H,3,4)(H,5,6)