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

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)acetamide CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyano-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)acetamide Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)acetamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-28-14-8-11-23-21(27)16(15-22)19-20(26-12-6-2-3-7-13-26)25-18-10-5-4-9-17(18)24-19/h4-5,9-10,16H,2-3,6-8,11-14H2,1H3,(H,23,27)