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

Systemtic Name: N-butyl-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-butyl-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-butyl-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-butyl-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-butyl-N-methyl-3-nitro-benzamide Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-4-5-8-19(3)18(24)15-6-7-16(17(13-15)22(25)26)21-11-9-20(10-12-21)14(2)23/h6-7,13H,4-5,8-12H2,1-3H3