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

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

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN5O/c1-3-5-8-17(4-2)16-32-24(31-26(33)18-11-13-19(27)14-12-18)20(15-28)23-25(32)30-22-10-7-6-9-21(22)29-23/h6-7,9-14,17H,3-5,8,16H2,1-2H3,(H,31,33)