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

Systemtic Name: N-butyl-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[2-[(4-fluorophenyl)methyl-[(octylamino)-oxomethyl]amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-[(4-fluorobenzyl)-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide Formula: C27H46FN5O2 MolecularWeight: 491.684843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)NCCCC)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)NCCCC)CC2=CC=C(C=C2)F

InChI

InChI=1S/C27H46FN5O2/c1-3-5-7-8-9-10-16-30-27(35)33(23-24-11-13-25(28)14-12-24)22-19-31-17-20-32(21-18-31)26(34)29-15-6-4-2/h11-14H,3-10,15-23H2,1-2H3,(H,29,34)(H,30,35)