(2S)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanamide

Systemtic Name: (2S)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanamide Openeye Name: (2S)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide CAS Name: (2S)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide Traditional Name: (2S)-2-cyano-N-homoveratryl-2-(3-pyrrolidinoquinoxalin-2-yl)acetamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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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=C2N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4)OC

InChI

InChI=1S/C25H27N5O3/c1-32-21-10-9-17(15-22(21)33-2)11-12-27-25(31)18(16-26)23-24(30-13-5-6-14-30)29-20-8-4-3-7-19(20)28-23/h3-4,7-10,15,18H,5-6,11-14H2,1-2H3,(H,27,31)/t18-/m1/s1