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

Systemtic Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[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=C(C=C2)C#N)(C#N)C3=CC=CS3

Isomeric SMILES

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

InChI

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