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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3

InChI

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