2-cyano-N-(phenylmethyl)-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: 2-cyano-N-(phenylmethyl)-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: N-benzyl-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetamide CAS Name: 2-cyano-N-(phenylmethyl)-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: N-benzyl-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetamide Traditional Name: N-benzyl-2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-acetamide Formula: C29H28N6O MolecularWeight: 476.57222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCC5=CC=CC=C5

InChI

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