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

Systemtic Name: 2,4-bis(chloranyl)-N-(3-cyano-1-heptan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Openeye Name: 2,4-dichloro-N-[3-cyano-1-(1-ethylpentyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 2,4-dichloro-N-(3-cyano-1-heptan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)benzamide IUPAC Name: 2,4-dichloro-N-(3-cyano-1-heptan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide Traditional Name: 2,4-dichloro-N-[3-cyano-1-(1-ethylpentyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C25H23Cl2N5O MolecularWeight: 480.38902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23Cl2N5O/c1-3-5-8-16(4-2)32-23(31-25(33)17-12-11-15(26)13-19(17)27)18(14-28)22-24(32)30-21-10-7-6-9-20(21)29-22/h6-7,9-13,16H,3-5,8H2,1-2H3,(H,31,33)