4-(4-ethanoylpiperazin-1-yl)-N-(3-methyl-2-phenyl-butyl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(3-methyl-2-phenyl-butyl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(3-methyl-2-phenyl-butyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(3-methyl-2-phenylbutyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(3-methyl-2-phenylbutyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(3-methyl-2-phenyl-butyl)-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4/c1-17(2)21(19-7-5-4-6-8-19)16-25-24(30)20-9-10-22(23(15-20)28(31)32)27-13-11-26(12-14-27)18(3)29/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,30)