tert-butyl 2-azanyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: tert-butyl 2-amino-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[3-(trifluoromethyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid tert-butyl ester Formula: C22H19F3N4O2 MolecularWeight: 428.40707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C(F)(F)F)N

InChI

InChI=1S/C22H19F3N4O2/c1-21(2,3)31-20(30)16-17-19(28-15-10-5-4-9-14(15)27-17)29(18(16)26)13-8-6-7-12(11-13)22(23,24)25/h4-11H,26H2,1-3H3