4-(4-ethanoylpiperazin-1-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-fluoro-3-methyl-benzyl)-3-nitro-benzamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])F

InChI

InChI=1S/C21H23FN4O4/c1-14-11-16(3-5-18(14)22)13-23-21(28)17-4-6-19(20(12-17)26(29)30)25-9-7-24(8-10-25)15(2)27/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,28)