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

Systemtic Name: 5-[3-cyano-6-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-3-carbonitrile Openeye Name: 5-[4-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-1-cyano-1-isopropyl-butyl]thiophene-3-carbonitrile CAS Name: 5-[6-[4-[2-(3-acetylphenoxy)ethyl]-1-piperazinyl]-3-cyano-2-methylhexan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 5-[6-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-3-cyano-2-methylhexan-3-yl]thiophene-3-carbonitrile Traditional Name: 5-[4-[4-[2-(3-acetylphenoxy)ethyl]piperazino]-1-cyano-1-isopropyl-butyl]thiophene-3-carbonitrile Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC(=CS3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC(=CS3)C#N

InChI

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