N-[(4-tert-butylphenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-tert-butylphenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-tert-butylbenzyl)-N-methyl-3-nitro-benzamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4/c1-18(30)27-12-14-28(15-13-27)22-11-8-20(16-23(22)29(32)33)24(31)26(5)17-19-6-9-21(10-7-19)25(2,3)4/h6-11,16H,12-15,17H2,1-5H3