4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]heptyl]-3-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]heptyl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]heptyl]-3-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]heptyl]-3-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]heptyl]-3-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazino]heptyl]-3-methyl-benzonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O/c1-3-4-5-6-7-27(26-13-8-23(21-29)20-22(26)2)31-16-14-30(15-17-31)18-19-32-25-11-9-24(28)10-12-25/h8-13,20,27H,3-7,14-19H2,1-2H3