1-[(3-bromophenyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(3,4-diethoxybenzyl)nipecotamide Formula: C24H31BrN2O3 MolecularWeight: 475.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C24H31BrN2O3/c1-3-29-22-11-10-18(14-23(22)30-4-2)15-26-24(28)20-8-6-12-27(17-20)16-19-7-5-9-21(25)13-19/h5,7,9-11,13-14,20H,3-4,6,8,12,15-17H2,1-2H3,(H,26,28)