2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-ethanamide

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-ethanamide Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-N-butyl-2-cyanoacetamide IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyanoacetamide Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3

Isomeric SMILES

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3

InChI

InChI=1S/C21H27N5O/c1-2-3-12-23-21(27)16(15-22)19-20(26-13-8-4-5-9-14-26)25-18-11-7-6-10-17(18)24-19/h6-7,10-11,16H,2-5,8-9,12-14H2,1H3,(H,23,27)