N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromophenyl)carbonyl-cyclohexyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromophenyl)carbonyl-cyclohexyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-cyclohexyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[(2-bromophenyl)-oxomethyl]-cyclohexylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(2-bromobenzoyl)-cyclohexyl-amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1CCC(CC1)N(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C26H26BrN3O5/c27-21-9-5-4-8-20(21)26(32)30(18-6-2-1-3-7-18)15-19-13-22(29-35-19)25(31)28-14-17-10-11-23-24(12-17)34-16-33-23/h4-5,8-13,18H,1-3,6-7,14-16H2,(H,28,31)