2-[[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]methyl]-1-benzofuran-5-carbonitrile

Systemtic Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]methyl]-1-benzofuran-5-carbonitrile Openeye Name: 2-[[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]methyl]benzofuran-5-carbonitrile CAS Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]methyl]-5-benzofurancarbonitrile IUPAC Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]methyl]-1-benzofuran-5-carbonitrile Traditional Name: 2-[[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]methyl]benzofuran-5-carbonitrile Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C#N)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C#N)(C#N)C4=CC=CS4

InChI

InChI=1S/C26H30N4OS/c1-20(2)26(19-28,25-5-3-14-32-25)8-4-9-29-10-12-30(13-11-29)18-23-16-22-15-21(17-27)6-7-24(22)31-23/h3,5-7,14-16,20H,4,8-13,18H2,1-2H3