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

Systemtic Name: N-(1-butan-2-yl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoranyl-benzamide Openeye Name: N-(3-cyano-1-sec-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide CAS Name: N-(1-butan-2-yl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-4-fluorobenzamide IUPAC Name: N-(1-butan-2-yl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-4-fluorobenzamide Traditional Name: N-(3-cyano-1-sec-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide Formula: C22H18FN5O MolecularWeight: 387.409623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O/c1-3-13(2)28-20(27-22(29)14-8-10-15(23)11-9-14)16(12-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11,13H,3H2,1-2H3,(H,27,29)