N-(2-fluorophenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(2-fluorophenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide CAS Name: N-(2-fluorophenyl)-5-nitro-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide Formula: C26H26FN5O4 MolecularWeight: 491.514143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C26H26FN5O4/c27-22-8-4-5-9-24(22)29-26(34)21-16-20(32(35)36)10-11-23(21)28-25(33)18-31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,33)(H,29,34)