ethyl 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylate CAS Name: 7-[[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylate Traditional Name: 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H17F3N4O2 MolecularWeight: 426.39119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C(=CC=C2)NC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C(=CC=C2)NC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O2/c1-2-31-21(30)18-10-14-4-3-5-16(20(14)29-18)28-19-11-17(26-12-27-19)13-6-8-15(9-7-13)22(23,24)25/h3-12,29H,2H2,1H3,(H,26,27,28)