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

Systemtic Name: 2-methylbutyl 2-azanyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 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-methylbutyl ester IUPAC Name: 2-methylbutyl 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 2-methylbutyl ester Formula: C23H21F3N4O2 MolecularWeight: 442.43365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N4O2/c1-3-13(2)12-32-22(31)18-19-21(29-17-10-5-4-9-16(17)28-19)30(20(18)27)15-8-6-7-14(11-15)23(24,25)26/h4-11,13H,3,12,27H2,1-2H3