N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-1,2,3,4-tetrazol-5-yl)but-3-yn-1-amine

Systemtic Name: N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-1,2,3,4-tetrazol-5-yl)but-3-yn-1-amine Openeye Name: N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-tetrazol-5-yl)but-3-yn-1-amine CAS Name: N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-tetrazol-5-yl)-3-butyn-1-amine IUPAC Name: N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-tetrazol-5-yl)but-3-yn-1-amine Traditional Name: diphenoxyphosphorylmethyl-[4-phenyl-1-(2H-tetrazol-5-yl)but-3-ynyl]amine Formula: C24H22N5O3P MolecularWeight: 459.436941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC(C2=NNN=N2)NCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CCC(C2=NNN=N2)NCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H22N5O3P/c30-33(31-21-14-6-2-7-15-21,32-22-16-8-3-9-17-22)19-25-23(24-26-28-29-27-24)18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,23,25H,18-19H2,(H,26,27,28,29)