1-[(4-bromophenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(2S)-2-ethylhexyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(2S)-2-ethylhexyl]isonipecotamide Formula: C21H33BrN2O MolecularWeight: 409.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCN(CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1CCN(CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H33BrN2O/c1-3-5-6-17(4-2)15-23-21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18/h7-10,17,19H,3-6,11-16H2,1-2H3,(H,23,25)/t17-/m0/s1