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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromophenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[(2-bromophenyl)-oxomethyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(2-bromobenzoyl)-phenethyl-amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C28H24BrN3O5 MolecularWeight: 562.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C28H24BrN3O5/c29-23-9-5-4-8-22(23)28(34)32(13-12-19-6-2-1-3-7-19)17-21-15-24(31-37-21)27(33)30-16-20-10-11-25-26(14-20)36-18-35-25/h1-11,14-15H,12-13,16-18H2,(H,30,33)