methyl 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methylcarbamoylamino]indazole-1-carboxylate

Systemtic Name: methyl 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methylcarbamoylamino]indazole-1-carboxylate Openeye Name: methyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoylamino]indazole-1-carboxylate CAS Name: 4-[[[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-oxomethyl]amino]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoylamino]indazole-1-carboxylate Traditional Name: 4-[[2-fluoro-5-(trifluoromethyl)benzyl]carbamoylamino]indazole-1-carboxylic acid methyl ester Formula: C18H14F4N4O3 MolecularWeight: 410.322373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3=C(C=CC(=C3)C(F)(F)F)F

Isomeric SMILES

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3=C(C=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C18H14F4N4O3/c1-29-17(28)26-15-4-2-3-14(12(15)9-24-26)25-16(27)23-8-10-7-11(18(20,21)22)5-6-13(10)19/h2-7,9H,8H2,1H3,(H2,23,25,27)