(2S)-2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-hexyl-ethanamide

Systemtic Name: (2S)-2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-hexyl-ethanamide Openeye Name: (2S)-2-cyano-2-[3-(diisobutylamino)quinoxalin-2-yl]-N-hexyl-acetamide CAS Name: (2S)-2-[3-[bis(2-methylpropyl)amino]-2-quinoxalinyl]-2-cyano-N-hexylacetamide IUPAC Name: (2S)-2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-hexylacetamide Traditional Name: (2S)-2-cyano-2-[3-(diisobutylamino)quinoxalin-2-yl]-N-hexyl-acetamide Formula: C25H37N5O MolecularWeight: 423.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(CC(C)C)CC(C)C

Isomeric SMILES

CCCCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N(CC(C)C)CC(C)C

InChI

InChI=1S/C25H37N5O/c1-6-7-8-11-14-27-25(31)20(15-26)23-24(30(16-18(2)3)17-19(4)5)29-22-13-10-9-12-21(22)28-23/h9-10,12-13,18-20H,6-8,11,14,16-17H2,1-5H3,(H,27,31)/t20-/m1/s1