2-[[(4-nitrophenyl)carbonyl-pentyl-amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[(4-nitrophenyl)carbonyl-pentyl-amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(4-nitrobenzoyl)-pentyl-amino]methyl]-N-pentyl-oxazole-4-carboxamide CAS Name: 2-[[[(4-nitrophenyl)-oxomethyl]-pentylamino]methyl]-N-pentyl-4-oxazolecarboxamide IUPAC Name: 2-[[(4-nitrobenzoyl)-pentylamino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide Traditional Name: N-amyl-2-[[amyl-(4-nitrobenzoyl)amino]methyl]oxazole-4-carboxamide Formula: C22H30N4O5 MolecularWeight: 430.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=COC(=N1)CN(CCCCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)C1=COC(=N1)CN(CCCCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5/c1-3-5-7-13-23-21(27)19-16-31-20(24-19)15-25(14-8-6-4-2)22(28)17-9-11-18(12-10-17)26(29)30/h9-12,16H,3-8,13-15H2,1-2H3,(H,23,27)