2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]propanedinitrile

Systemtic Name: 2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]propanedinitrile Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]propanedinitrile CAS Name: 2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]propanedinitrile IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]propanedinitrile Traditional Name: 2-[3-(4-benzylpiperazino)quinoxalin-2-yl]malononitrile Formula: C22H20N6 MolecularWeight: 368.4344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6/c23-14-18(15-24)21-22(26-20-9-5-4-8-19(20)25-21)28-12-10-27(11-13-28)16-17-6-2-1-3-7-17/h1-9,18H,10-13,16H2