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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CC=C2)F)(C#N)C3=CC(=CS3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CC=C2)F)(C#N)C3=CC(=CS3)C#N

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-28,24-15-21(17-27)18-32-24)7-4-8-29-9-11-30(12-10-29)13-14-31-23-6-3-5-22(26)16-23/h3,5-6,15-16,18,20H,4,7-14H2,1-2H3