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

Systemtic Name: 3-[2-[4-(3-cyano-4-methyl-3-thiophen-2-yl-pentyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[3-cyano-4-methyl-3-(2-thienyl)pentyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-(3-cyano-4-methyl-3-thiophen-2-ylpentyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-(3-cyano-4-methyl-3-thiophen-2-ylpentyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[3-cyano-4-methyl-3-(2-thienyl)pentyl]piperazino]ethoxy]benzonitrile Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

InChI

InChI=1S/C24H30N4OS/c1-20(2)24(19-26,23-7-4-16-30-23)8-9-27-10-12-28(13-11-27)14-15-29-22-6-3-5-21(17-22)18-25/h3-7,16-17,20H,8-15H2,1-2H3