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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromophenyl)carbonyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-(1-ethylpropyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[(2-bromophenyl)-oxomethyl]-pentan-3-ylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(2-bromobenzoyl)-pentan-3-ylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(2-bromobenzoyl)-(1-ethylpropyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C25H26BrN3O5 MolecularWeight: 528.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCC(CC)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H26BrN3O5/c1-3-17(4-2)29(25(31)19-7-5-6-8-20(19)26)14-18-12-21(28-34-18)24(30)27-13-16-9-10-22-23(11-16)33-15-32-22/h5-12,17H,3-4,13-15H2,1-2H3,(H,27,30)