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

Systemtic Name: 2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-phenethyl-ethanamide Openeye Name: 2-cyano-2-[3-(diisobutylamino)quinoxalin-2-yl]-N-phenethyl-acetamide CAS Name: 2-[3-[bis(2-methylpropyl)amino]-2-quinoxalinyl]-2-cyano-N-phenethylacetamide IUPAC Name: 2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-phenethylacetamide Traditional Name: 2-cyano-2-[3-(diisobutylamino)quinoxalin-2-yl]-N-phenethyl-acetamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC2=CC=CC=C2N=C1C(C#N)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC2=CC=CC=C2N=C1C(C#N)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N5O/c1-19(2)17-32(18-20(3)4)26-25(30-23-12-8-9-13-24(23)31-26)22(16-28)27(33)29-15-14-21-10-6-5-7-11-21/h5-13,19-20,22H,14-15,17-18H2,1-4H3,(H,29,33)