(phenylmethyl) 2-azanyl-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C25H16ClF3N4O2 MolecularWeight: 496.86835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)C(F)(F)F)N

InChI

InChI=1S/C25H16ClF3N4O2/c26-17-11-10-15(12-16(17)25(27,28)29)33-22(30)20(24(34)35-13-14-6-2-1-3-7-14)21-23(33)32-19-9-5-4-8-18(19)31-21/h1-12H,13,30H2