5-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-6-(3-cyanophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-6-(3-cyanophenoxy)-1-isopropyl-5-piperazino-hexyl]thiophene-2-carbonitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

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