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

Systemtic Name: N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoranyl-benzamide Openeye Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-fluoro-benzamide CAS Name: N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)-4-fluorobenzamide IUPAC Name: N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)-4-fluorobenzamide Traditional Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-fluoro-benzamide Formula: C26H26FN5O MolecularWeight: 443.515943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN5O/c1-3-5-6-9-19(4-2)32-24(31-26(33)17-12-14-18(27)15-13-17)20(16-28)23-25(32)30-22-11-8-7-10-21(22)29-23/h7-8,10-15,19H,3-6,9H2,1-2H3,(H,31,33)