methyl 4-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylate

Systemtic Name: methyl 4-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylate Openeye Name: methyl 4-[[7-(trifluoromethyl)chroman-4-yl]carbamoylamino]indazole-1-carboxylate CAS Name: 4-[[oxo-[[7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]methyl]amino]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylate Traditional Name: 4-[[7-(trifluoromethyl)chroman-4-yl]carbamoylamino]indazole-1-carboxylic acid methyl ester Formula: C20H17F3N4O4 MolecularWeight: 434.36859

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NC3CCOC4=C3C=CC(=C4)C(F)(F)F

Isomeric SMILES

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NC3CCOC4=C3C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O4/c1-30-19(29)27-16-4-2-3-14(13(16)10-24-27)25-18(28)26-15-7-8-31-17-9-11(20(21,22)23)5-6-12(15)17/h2-6,9-10,15H,7-8H2,1H3,(H2,25,26,28)