5-[3-cyano-8-(4-cyanophenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile

Systemtic Name: 5-[3-cyano-8-(4-cyanophenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile Openeye Name: 5-[1-cyano-6-(4-cyanophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-3-carbonitrile CAS Name: 5-[3-cyano-8-(4-cyanophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-8-(4-cyanophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-3-carbonitrile Traditional Name: 5-[1-cyano-6-(4-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=C(C=C1)C#N)N2CCNCC2)(C#N)C3=CC(=CS3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5OS/c1-20(2)26(19-29,25-14-22(16-28)18-33-25)9-3-4-23(31-12-10-30-11-13-31)17-32-24-7-5-21(15-27)6-8-24/h5-8,14,18,20,23,30H,3-4,9-13,17H2,1-2H3