3-[[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methylhexyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methylhexyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazino]methyl]benzonitrile Formula: C28H32N4S MolecularWeight: 456.64548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC(=C2)C#N)(C#N)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC(=C2)C#N)(C#N)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C28H32N4S/c1-22(2)28(21-30,26-20-33-27-10-4-3-9-25(26)27)11-6-12-31-13-15-32(16-14-31)19-24-8-5-7-23(17-24)18-29/h3-5,7-10,17,20,22H,6,11-16,19H2,1-2H3