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

Systemtic Name: 5-[3-cyano-6-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-3-carbonitrile Openeye Name: 5-[1-cyano-4-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-1-isopropyl-butyl]thiophene-3-carbonitrile CAS Name: 5-[3-cyano-6-[4-[2-(4-cyanophenoxy)ethyl]-1-piperazinyl]-2-methylhexan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-6-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-2-methylhexan-3-yl]thiophene-3-carbonitrile Traditional Name: 5-[1-cyano-4-[4-[2-(4-cyanophenoxy)ethyl]piperazino]-1-isopropyl-butyl]thiophene-3-carbonitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5OS/c1-21(2)26(20-29,25-16-23(18-28)19-33-25)8-3-9-30-10-12-31(13-11-30)14-15-32-24-6-4-22(17-27)5-7-24/h4-7,16,19,21H,3,8-15H2,1-2H3