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

Systemtic Name: 2-methylpropyl 2-azanyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H19F3N4O2 MolecularWeight: 428.40707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N4O2/c1-12(2)11-31-21(30)17-18-20(28-16-9-4-3-8-15(16)27-18)29(19(17)26)14-7-5-6-13(10-14)22(23,24)25/h3-10,12H,11,26H2,1-2H3