1-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(3-bromo-4-methoxyphenyl)propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O3/c1-29-20-6-4-16(13-19(20)23)5-7-21(27)26-11-8-18(9-12-26)22(28)25-15-17-3-2-10-24-14-17/h2-4,6,10,13-14,18H,5,7-9,11-12,15H2,1H3,(H,25,28)