N-[diethoxyphosphoryl-[4-(1-oxidanylbutyl)-1,2,3-triazol-1-yl]methyl]benzamide

Systemtic Name: N-[diethoxyphosphoryl-[4-(1-oxidanylbutyl)-1,2,3-triazol-1-yl]methyl]benzamide Openeye Name: N-[diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide CAS Name: N-[diethoxyphosphoryl-[4-(1-hydroxybutyl)-1-triazolyl]methyl]benzamide IUPAC Name: N-[diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide Traditional Name: N-[diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide Formula: C18H27N4O5P MolecularWeight: 410.404541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN(N=N1)C(NC(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)O

Isomeric SMILES

CCCC(C1=CN(N=N1)C(NC(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)O

InChI

InChI=1S/C18H27N4O5P/c1-4-10-16(23)15-13-22(21-20-15)18(28(25,26-5-2)27-6-3)19-17(24)14-11-8-7-9-12-14/h7-9,11-13,16,18,23H,4-6,10H2,1-3H3,(H,19,24)