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

Systemtic Name: 3-[2-[4-(3-cyano-4-methyl-5-thiophen-2-yl-pentyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[3-cyano-4-methyl-5-(2-thienyl)pentyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-(3-cyano-4-methyl-5-thiophen-2-ylpentyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-(3-cyano-4-methyl-5-thiophen-2-ylpentyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[3-cyano-4-methyl-5-(2-thienyl)pentyl]piperazino]ethoxy]benzonitrile Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)C(CCN2CCN(CC2)CCOC3=CC=CC(=C3)C#N)C#N

Isomeric SMILES

CC(CC1=CC=CS1)C(CCN2CCN(CC2)CCOC3=CC=CC(=C3)C#N)C#N

InChI

InChI=1S/C24H30N4OS/c1-20(16-24-6-3-15-30-24)22(19-26)7-8-27-9-11-28(12-10-27)13-14-29-23-5-2-4-21(17-23)18-25/h2-6,15,17,20,22H,7-14,16H2,1H3