2-cyano-N-phenethyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanamide

Systemtic Name: 2-cyano-N-phenethyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: 2-cyano-N-phenethyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetamide CAS Name: 2-cyano-N-phenethyl-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetamide IUPAC Name: 2-cyano-N-phenethyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetamide Traditional Name: 2-cyano-N-phenethyl-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetamide Formula: C29H28N6O MolecularWeight: 476.57222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H28N6O/c30-21-24(29(36)31-16-15-22-9-3-1-4-10-22)27-28(33-26-14-8-7-13-25(26)32-27)35-19-17-34(18-20-35)23-11-5-2-6-12-23/h1-14,24H,15-20H2,(H,31,36)