2-[2-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile

Systemtic Name: 2-[2-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile Openeye Name: 2-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-(2-thienyl)butanenitrile CAS Name: 2-[2-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile IUPAC Name: 2-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile Traditional Name: 2-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazino]ethyl]-3-methyl-2-(2-thienyl)butyronitrile Formula: C23H30FN3OS MolecularWeight: 415.567203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H30FN3OS/c1-19(2)23(18-25,22-4-3-17-29-22)9-10-26-11-13-27(14-12-26)15-16-28-21-7-5-20(24)6-8-21/h3-8,17,19H,9-16H2,1-2H3