2-[4-(4-azanylbutyl)piperazin-1-yl]-6-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[4-(4-azanylbutyl)piperazin-1-yl]-6-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[4-(4-aminobutyl)piperazin-1-yl]-6-(trifluoromethyl)benzonitrile CAS Name: 2-[4-(4-aminobutyl)-1-piperazinyl]-6-(trifluoromethyl)benzonitrile IUPAC Name: 2-[4-(4-aminobutyl)piperazin-1-yl]-6-(trifluoromethyl)benzonitrile Traditional Name: 2-[4-(4-aminobutyl)piperazino]-6-(trifluoromethyl)benzonitrile Formula: C16H21F3N4 MolecularWeight: 326.35995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN)C2=CC=CC(=C2C#N)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCN)C2=CC=CC(=C2C#N)C(F)(F)F

InChI

InChI=1S/C16H21F3N4/c17-16(18,19)14-4-3-5-15(13(14)12-21)23-10-8-22(9-11-23)7-2-1-6-20/h3-5H,1-2,6-11,20H2