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

Systemtic Name: 2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]propanedinitrile Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]propanedinitrile CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]propanedinitrile IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]propanedinitrile Traditional Name: 2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]malononitrile Formula: C28H24N6 MolecularWeight: 444.53036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C(C#N)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C(C#N)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N6/c29-19-23(20-30)26-28(32-25-14-8-7-13-24(25)31-26)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,27H,15-18H2