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

Systemtic Name: 2-azanyl-N-butyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H20F3N5O MolecularWeight: 427.42231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N5O/c1-2-3-11-27-21(31)17-18-20(29-16-10-5-4-9-15(16)28-18)30(19(17)26)14-8-6-7-13(12-14)22(23,24)25/h4-10,12H,2-3,11,26H2,1H3,(H,27,31)