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

Systemtic Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-3-yl-hexyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-5-methyl-4-(3-thienyl)hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-cyano-5-methyl-4-(3-thiophenyl)hexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-3-ylhexyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-5-methyl-4-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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