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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(cyclopropanecarbonyl)isonipecotamide Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C(=O)C3CC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C(=O)C3CC3)Br)OC

InChI

InChI=1S/C20H27BrN2O4/c1-26-17-11-15(16(21)12-18(17)27-2)5-8-22-19(24)13-6-9-23(10-7-13)20(25)14-3-4-14/h11-14H,3-10H2,1-2H3,(H,22,24)