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

Systemtic Name: 3-[2-[4-[4-cyano-4-(furan-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-4-(2-furyl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-cyano-4-(2-furanyl)-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-cyano-4-(furan-2-yl)-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-4-(2-furyl)-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C25H32N4O2 MolecularWeight: 420.54718

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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=CO3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CO3

InChI

InChI=1S/C25H32N4O2/c1-21(2)25(20-27,24-8-4-16-31-24)9-5-10-28-11-13-29(14-12-28)15-17-30-23-7-3-6-22(18-23)19-26/h3-4,6-8,16,18,21H,5,9-15,17H2,1-2H3