2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(methylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(methylamino)methylidene]propanedinitrile Openeye Name: 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(methylamino)methylene]propanedinitrile CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-(methylamino)methylidene]propanedinitrile IUPAC Name: 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(methylamino)methylidene]propanedinitrile Traditional Name: 2-[[4-(4-fluorobenzyl)piperazino]-(methylamino)methylene]malononitrile Formula: C16H18FN5 MolecularWeight: 299.346023

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C(C#N)C#N)N1CCN(CC1)CC2=CC=C(C=C2)F

Isomeric SMILES

CNC(=C(C#N)C#N)N1CCN(CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN5/c1-20-16(14(10-18)11-19)22-8-6-21(7-9-22)12-13-2-4-15(17)5-3-13/h2-5,20H,6-9,12H2,1H3