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

Systemtic Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloranyl-benzamide Openeye Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-benzamide CAS Name: N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-4-chlorobenzamide IUPAC Name: N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzamide Traditional Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-benzamide Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)