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

Systemtic Name: 3-[2-[4-[4-(2-bromanyl-5-isocyano-thiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-(2-bromo-5-isocyano-3-thienyl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-(2-bromo-5-isocyano-3-thiophenyl)-4-cyano-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-(2-bromo-5-isocyanothiophen-3-yl)-4-cyano-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-(2-bromo-5-isocyano-3-thienyl)-4-cyano-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C26H30BrN5OS MolecularWeight: 540.5183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN5OS/c1-20(2)26(19-29,23-17-24(30-3)34-25(23)27)8-5-9-31-10-12-32(13-11-31)14-15-33-22-7-4-6-21(16-22)18-28/h4,6-7,16-17,20H,5,8-15H2,1-2H3