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

Systemtic Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]ethoxy]benzonitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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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=CS3

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-21(2)25(20-27,24-8-4-17-31-24)9-5-10-28-11-13-29(14-12-28)15-16-30-23-7-3-6-22(18-23)19-26/h3-4,6-8,17-18,21H,5,9-16H2,1-2H3