2-azanyl-N-butyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-[(E)-(4-fluorophenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[(E)-(4-fluorophenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-[(E)-(4-fluorobenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)F)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN6O/c1-2-3-12-25-22(30)18-19-21(28-17-7-5-4-6-16(17)27-19)29(20(18)24)26-13-14-8-10-15(23)11-9-14/h4-11,13H,2-3,12,24H2,1H3,(H,25,30)/b26-13+