N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoranyl-benzamide Openeye Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide CAS Name: N-(3-cyano-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl)-4-fluorobenzamide IUPAC Name: N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-4-fluorobenzamide Traditional Name: N-(1-amyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide Formula: C23H20FN5O MolecularWeight: 401.436203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5O/c1-2-3-6-13-29-21(28-23(30)15-9-11-16(24)12-10-15)17(14-25)20-22(29)27-19-8-5-4-7-18(19)26-20/h4-5,7-12H,2-3,6,13H2,1H3,(H,28,30)