4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazine-1-carbonyl]pentyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-1-oxohexan-2-yl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1-oxohexan-2-yl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazine-1-carbonyl]pentyl]-2-methyl-benzonitrile Formula: C26H32FN3O2 MolecularWeight: 437.549583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)C#N)C)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)C#N)C)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FN3O2/c1-3-4-5-25(21-6-7-22(19-28)20(2)18-21)26(31)30-14-12-29(13-15-30)16-17-32-24-10-8-23(27)9-11-24/h6-11,18,25H,3-5,12-17H2,1-2H3