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

Systemtic Name: 3-[2-[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-(benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-(1-benzothiophen-3-yl)-4-cyano-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-(benzothiophen-3-yl)-4-cyano-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C29H34N4OS/c1-23(2)29(22-31,27-21-35-28-10-4-3-9-26(27)28)11-6-12-32-13-15-33(16-14-32)17-18-34-25-8-5-7-24(19-25)20-30/h3-5,7-10,19,21,23H,6,11-18H2,1-2H3