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

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O2/c1-33-20-12-10-19(11-13-20)14-15-28-26(32)21(18-27)24-25(31-16-6-2-3-7-17-31)30-23-9-5-4-8-22(23)29-24/h4-5,8-13,21H,2-3,6-7,14-17H2,1H3,(H,28,32)