1-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-homoveratryl-nipecotamide Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C23H29BrN2O3/c1-28-21-9-8-17(14-22(21)29-2)10-11-25-23(27)19-6-4-12-26(16-19)15-18-5-3-7-20(24)13-18/h3,5,7-9,13-14,19H,4,6,10-12,15-16H2,1-2H3,(H,25,27)