N1-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)benzene-1,2-diamine

Systemtic Name: N1-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)benzene-1,2-diamine Openeye Name: N1-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)benzene-1,2-diamine CAS Name: N1-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)benzene-1,2-diamine IUPAC Name: 1-N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)benzene-1,2-diamine Traditional Name: [2-amino-3-(1H-imidazol-5-yl)-4-(trifluoromethyl)phenyl]-(2-diethoxyphosphorylethyl)amine Formula: C16H22F3N4O3P MolecularWeight: 406.339851

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCNC1=C(C(=C(C=C1)C(F)(F)F)C2=CN=CN2)N)OCC

Isomeric SMILES

CCOP(=O)(CCNC1=C(C(=C(C=C1)C(F)(F)F)C2=CN=CN2)N)OCC

InChI

InChI=1S/C16H22F3N4O3P/c1-3-25-27(24,26-4-2)8-7-22-12-6-5-11(16(17,18)19)14(15(12)20)13-9-21-10-23-13/h5-6,9-10,22H,3-4,7-8,20H2,1-2H3,(H,21,23)