N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-pyrazin-2-yl-nipecotamide Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCCN(C2)C3=NC=CN=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCCN(C2)C3=NC=CN=C3)Br)OC

InChI

InChI=1S/C20H25BrN4O3/c1-27-17-10-14(16(21)11-18(17)28-2)5-6-24-20(26)15-4-3-9-25(13-15)19-12-22-7-8-23-19/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,24,26)