2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyano-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-p-anisyl-acetamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCCC4

InChI

InChI=1S/C25H27N5O2/c1-32-19-12-10-18(11-13-19)17-27-25(31)20(16-26)23-24(30-14-6-2-3-7-15-30)29-22-9-5-4-8-21(22)28-23/h4-5,8-13,20H,2-3,6-7,14-15,17H2,1H3,(H,27,31)