3-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-cyano-4-(5-isocyano-2-thiophenyl)-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C26H31N5OS/c1-21(2)26(20-28,24-8-9-25(29-3)33-24)10-5-11-30-12-14-31(15-13-30)16-17-32-23-7-4-6-22(18-23)19-27/h4,6-9,18,21H,5,10-17H2,1-2H3