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

Systemtic Name: 2-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile Openeye Name: 2-[1-cyano-6-(3-cyanophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-3-carbonitrile CAS Name: 2-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 2-[3-cyano-8-(3-cyanophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-3-carbonitrile Traditional Name: 2-[1-cyano-6-(3-cyanophenoxy)-1-isopropyl-5-piperazino-hexyl]thiophene-3-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=C(C=CS3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=C(C=CS3)C#N

InChI

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