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

Systemtic Name: 2-azanyl-N-heptyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H26F3N5O MolecularWeight: 469.50205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F3N5O/c1-2-3-4-5-8-14-30-24(34)20-21-23(32-19-13-7-6-12-18(19)31-21)33(22(20)29)17-11-9-10-16(15-17)25(26,27)28/h6-7,9-13,15H,2-5,8,14,29H2,1H3,(H,30,34)