5-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-(4-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-[2-(3-acetylphenoxy)ethyl]-1-piperazinyl]-2-(4-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazino]-2-(4-isocyano-2-thienyl)-2-isopropyl-valeronitrile 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)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC(=CS3)[N+]#[C-]

InChI

InChI=1S/C27H34N4O2S/c1-21(2)27(20-28,26-18-24(29-4)19-34-26)9-6-10-30-11-13-31(14-12-30)15-16-33-25-8-5-7-23(17-25)22(3)32/h5,7-8,17-19,21H,6,9-16H2,1-3H3