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

Systemtic Name: 2,4-bis(chloranyl)-N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Openeye Name: 2,4-dichloro-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 2,4-dichloro-N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)benzamide IUPAC Name: 2,4-dichloro-N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide Traditional Name: 2,4-dichloro-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C26H25Cl2N5O MolecularWeight: 494.4156

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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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25Cl2N5O/c1-3-5-6-9-17(4-2)33-24(32-26(34)18-13-12-16(27)14-20(18)28)19(15-29)23-25(33)31-22-11-8-7-10-21(22)30-23/h7-8,10-14,17H,3-6,9H2,1-2H3,(H,32,34)