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

Systemtic Name: 3-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-(4-cyano-5-methyl-4-phenylhexyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazino]ethoxy]benzonitrile Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O/c1-23(2)27(22-29,25-9-4-3-5-10-25)12-7-13-30-14-16-31(17-15-30)18-19-32-26-11-6-8-24(20-26)21-28/h3-6,8-11,20,23H,7,12-19H2,1-2H3