2-[2-(4-cyclopentylpiperazin-1-ium-1-yl)ethanoylamino]-N-(2-fluorophenyl)-5-nitro-benzamide

Systemtic Name: 2-[2-(4-cyclopentylpiperazin-1-ium-1-yl)ethanoylamino]-N-(2-fluorophenyl)-5-nitro-benzamide Openeye Name: 2-[[2-(4-cyclopentylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide CAS Name: 2-[[2-(4-cyclopentyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide IUPAC Name: 2-[[2-(4-cyclopentylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(4-cyclopentylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide Formula: C24H29FN5O4+ MolecularWeight: 470.516563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCC(C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H28FN5O4/c25-20-7-3-4-8-22(20)27-24(32)19-15-18(30(33)34)9-10-21(19)26-23(31)16-28-11-13-29(14-12-28)17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14,16H2,(H,26,31)(H,27,32)/p+1