1-(1,3-benzoxazol-2-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(5-bromo-2-methoxy-benzyl)isonipecotamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22BrN3O3/c1-27-18-7-6-16(22)12-15(18)13-23-20(26)14-8-10-25(11-9-14)21-24-17-4-2-3-5-19(17)28-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)