5-[3-cyano-6-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-6-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1-isopropyl-butyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-6-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-methylhexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-6-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methylhexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-4-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-1-isopropyl-butyl]thiophene-2-carbonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-28,24-9-8-23(18-27)32-24)10-3-11-29-12-14-30(15-13-29)16-17-31-22-6-4-21(26)5-7-22/h4-9,20H,3,10-17H2,1-2H3