methyl 4-[[1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methylcarbamoylamino]indazole-1-carboxylate

Systemtic Name: methyl 4-[[1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methylcarbamoylamino]indazole-1-carboxylate Openeye Name: methyl 4-[[1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methylcarbamoylamino]indazole-1-carboxylate CAS Name: 4-[[oxo-[[1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methylamino]methyl]amino]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methylcarbamoylamino]indazole-1-carboxylate Traditional Name: 4-[(1-triflyl-3,4-dihydro-2H-quinolin-2-yl)methylcarbamoylamino]indazole-1-carboxylic acid methyl ester Formula: C21H20F3N5O5S MolecularWeight: 511.47421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3CCC4=CC=CC=C4N3S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3CCC4=CC=CC=C4N3S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O5S/c1-34-20(31)28-18-8-4-6-16(15(18)12-26-28)27-19(30)25-11-14-10-9-13-5-2-3-7-17(13)29(14)35(32,33)21(22,23)24/h2-8,12,14H,9-11H2,1H3,(H2,25,27,30)