N2-(diethoxyphosphorylmethyl)-4-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzene-1,2-diamine

Systemtic Name: N2-(diethoxyphosphorylmethyl)-4-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzene-1,2-diamine Openeye Name: N2-(diethoxyphosphorylmethyl)-4-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzene-1,2-diamine CAS Name: N2-(diethoxyphosphorylmethyl)-4-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)benzene-1,2-diamine IUPAC Name: 2-N-(diethoxyphosphorylmethyl)-4-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzene-1,2-diamine Traditional Name: [2-amino-5-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]-(diethoxyphosphorylmethyl)amine Formula: C16H22F3N4O3P MolecularWeight: 406.339851

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC1=C(C=C(C(=C1)N2C=C(N=C2)C)C(F)(F)F)N)OCC

Isomeric SMILES

CCOP(=O)(CNC1=C(C=C(C(=C1)N2C=C(N=C2)C)C(F)(F)F)N)OCC

InChI

InChI=1S/C16H22F3N4O3P/c1-4-25-27(24,26-5-2)10-22-14-7-15(23-8-11(3)21-9-23)12(6-13(14)20)16(17,18)19/h6-9,22H,4-5,10,20H2,1-3H3