tert-butyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylate Openeye Name: tert-butyl 3-(4-pyridylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-6-(trifluoromethyl)-1H-indole-2-carboxylic acid tert-butyl ester Formula: C19H18F3N3O2 MolecularWeight: 377.36033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)C(F)(F)F)NC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)C(F)(F)F)NC3=CC=NC=C3

InChI

InChI=1S/C19H18F3N3O2/c1-18(2,3)27-17(26)16-15(24-12-6-8-23-9-7-12)13-5-4-11(19(20,21)22)10-14(13)25-16/h4-10,25H,1-3H3,(H,23,24)