4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(4-fluorophenyl)methyl-[(octylamino)-oxomethyl]amino]ethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(4-fluorobenzyl)-(octylcarbamoyl)amino]ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C29H42FN5O2 MolecularWeight: 511.674483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C29H42FN5O2/c1-2-3-4-5-6-10-17-31-28(36)35(24-25-13-15-26(30)16-14-25)23-20-33-18-21-34(22-19-33)29(37)32-27-11-8-7-9-12-27/h7-9,11-16H,2-6,10,17-24H2,1H3,(H,31,36)(H,32,37)