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

Systemtic Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethyl-methyl-amino]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]ethyl-methyl-amino]benzonitrile CAS Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]ethyl-methylamino]benzonitrile IUPAC Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]ethyl-methylamino]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]ethyl-methyl-amino]benzonitrile Formula: C26H35N5S MolecularWeight: 449.6546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5S/c1-22(2)26(21-28,25-9-5-18-32-25)10-6-11-30-14-16-31(17-15-30)13-12-29(3)24-8-4-7-23(19-24)20-27/h4-5,7-9,18-19,22H,6,10-17H2,1-3H3