methyl (2S)-3-(6-chloranyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(6-chloranyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (2S)-3-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (2S)-3-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Formula: C15H11ClF3N5O3 MolecularWeight: 401.72775

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=NN=C2N1N=C(C3=CC=CC=C32)Cl)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CC1=NN=C2N1N=C(C3=CC=CC=C32)Cl)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H11ClF3N5O3/c1-27-13(25)9(20-14(26)15(17,18)19)6-10-21-22-12-8-5-3-2-4-7(8)11(16)23-24(10)12/h2-5,9H,6H2,1H3,(H,20,26)/t9-/m0/s1