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

Systemtic Name: 2-[(cyclohexylamino)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]propanedinitrile Openeye Name: 2-[(cyclohexylamino)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]propanedinitrile CAS Name: 2-[(cyclohexylamino)-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]propanedinitrile IUPAC Name: 2-[(cyclohexylamino)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]propanedinitrile Traditional Name: 2-[(cyclohexylamino)-[4-(4-fluorobenzyl)piperazino]methyl]malononitrile Formula: C21H28FN5 MolecularWeight: 369.478923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(C(C#N)C#N)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)NC(C(C#N)C#N)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5/c22-19-8-6-17(7-9-19)16-26-10-12-27(13-11-26)21(18(14-23)15-24)25-20-4-2-1-3-5-20/h6-9,18,20-21,25H,1-5,10-13,16H2