4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]piperazine-1-carboxamide CAS Name: 4-[2-[(4-fluorophenyl)methyl-(1-oxooctyl)amino]ethyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[2-[(4-fluorophenyl)methyl-octanoylamino]ethyl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[2-[caprylyl-(4-fluorobenzyl)amino]ethyl]piperazine-1-carboxamide Formula: C29H41FN4O2 MolecularWeight: 496.659843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C29H41FN4O2/c1-2-3-4-5-9-12-28(35)34(24-26-13-15-27(30)16-14-26)22-19-32-17-20-33(21-18-32)29(36)31-23-25-10-7-6-8-11-25/h6-8,10-11,13-16H,2-5,9,12,17-24H2,1H3,(H,31,36)