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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5OS/c1-21(2)26(20-29,25-8-7-24(19-28)33-25)9-4-10-30-11-13-31(14-12-30)15-16-32-23-6-3-5-22(17-23)18-27/h3,5-8,17,21H,4,9-16H2,1-2H3