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

Systemtic Name: 5-[3-cyano-8-(3-ethanoylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile Openeye Name: 5-[6-(3-acetylphenoxy)-1-cyano-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-3-carbonitrile CAS Name: 5-[8-(3-acetylphenoxy)-3-cyano-2-methyl-7-(1-piperazinyl)octan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 5-[8-(3-acetylphenoxy)-3-cyano-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-3-carbonitrile Traditional Name: 5-[6-(3-acetylphenoxy)-1-cyano-1-isopropyl-5-piperazino-hexyl]thiophene-3-carbonitrile Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-20(2)27(19-29,26-14-22(16-28)18-34-26)9-5-7-24(31-12-10-30-11-13-31)17-33-25-8-4-6-23(15-25)21(3)32/h4,6,8,14-15,18,20,24,30H,5,7,9-13,17H2,1-3H3