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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-fluorobenzyl)-3-nitro-benzamide Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O4/c1-14(26)23-8-10-24(11-9-23)18-7-4-16(12-19(18)25(28)29)20(27)22-13-15-2-5-17(21)6-3-15/h2-7,12H,8-11,13H2,1H3,(H,22,27)