2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-homoveratryl-acetamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3/c1-34-23-12-11-19(17-24(23)35-2)13-14-29-27(33)20(18-28)25-26(32-15-7-3-4-8-16-32)31-22-10-6-5-9-21(22)30-25/h5-6,9-12,17,20H,3-4,7-8,13-16H2,1-2H3,(H,29,33)