N-(3-azanylpropyl)-N-[[2-chloranyl-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-(3-cyclopentylpropanoylamino)benzyl]-3-fluoro-benzamide Formula: C25H31ClFN3O2 MolecularWeight: 459.983943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C25H31ClFN3O2/c26-23-11-10-22(29-24(31)12-9-18-5-1-2-6-18)16-20(23)17-30(14-4-13-28)25(32)19-7-3-8-21(27)15-19/h3,7-8,10-11,15-16,18H,1-2,4-6,9,12-14,17,28H2,(H,29,31)