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2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-fluorophenyl)benzamide

2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-fluorophenyl)benzamide

Systemtic Name:2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-fluorophenyl)benzamide
Openeye Name:2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)benzamide
CAS Name:2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
IUPAC Name:2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)benzamide
Traditional Name:2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)benzamide
Formula: C21H25FN3O2+
MolecularWeight: 370.440503
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F


Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F


InChI

InChI=1S/C21H24FN3O2/c22-16-9-11-17(12-10-16)23-21(27)18-7-3-4-8-19(18)24-20(26)15-25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,27)(H,24,26)/p+1


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