1-[(3-bromophenyl)methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[[4-(3-methyl-1-piperidyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[[4-(3-methyl-1-piperidinyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[4-(3-methylpiperidino)benzyl]nipecotamide Formula: C26H34BrN3O MolecularWeight: 484.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H34BrN3O/c1-20-5-3-14-30(17-20)25-11-9-21(10-12-25)16-28-26(31)23-7-4-13-29(19-23)18-22-6-2-8-24(27)15-22/h2,6,8-12,15,20,23H,3-5,7,13-14,16-19H2,1H3,(H,28,31)