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

Systemtic Name: 3-[2-[4-[4-(5-bromanylthiophen-2-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-(5-bromo-2-thienyl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-(5-bromo-2-thiophenyl)-4-cyano-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-(5-bromothiophen-2-yl)-4-cyano-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-(5-bromo-2-thienyl)-4-cyano-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C25H31BrN4OS MolecularWeight: 515.50884

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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)Br

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=C(S3)Br

InChI

InChI=1S/C25H31BrN4OS/c1-20(2)25(19-28,23-7-8-24(26)32-23)9-4-10-29-11-13-30(14-12-29)15-16-31-22-6-3-5-21(17-22)18-27/h3,5-8,17,20H,4,9-16H2,1-2H3