N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-chloro-6-fluoro-benzyl)-N-methyl-3-nitro-benzamide Formula: C21H22ClFN4O4 MolecularWeight: 448.875183

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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=C(C=CC=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClFN4O4/c1-14(28)25-8-10-26(11-9-25)19-7-6-15(12-20(19)27(30)31)21(29)24(2)13-16-17(22)4-3-5-18(16)23/h3-7,12H,8-11,13H2,1-2H3