N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-nitro-phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-nitro-phenyl]methyl]ethanamide Openeye Name: N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-nitro-phenyl]methyl]acetamide CAS Name: N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-3-nitrophenyl]methyl]acetamide IUPAC Name: N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-nitrophenyl]methyl]acetamide Traditional Name: N-[4-[[4-(4-fluorophenyl)piperazino]methyl]-3-nitro-benzyl]acetamide Formula: C20H23FN4O3 MolecularWeight: 386.420023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O3/c1-15(26)22-13-16-2-3-17(20(12-16)25(27)28)14-23-8-10-24(11-9-23)19-6-4-18(21)5-7-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)