1-(4-bromanyl-3,5-dimethoxy-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromanyl-3,5-dimethoxy-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-bromo-3,5-dimethoxy-benzoyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromo-3,5-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromo-3,5-dimethoxy-benzoyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H24BrN3O4/c1-28-17-10-16(11-18(29-2)19(17)22)21(27)25-8-5-15(6-9-25)20(26)24-13-14-4-3-7-23-12-14/h3-4,7,10-12,15H,5-6,8-9,13H2,1-2H3,(H,24,26)