2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile

Systemtic Name: 2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile Openeye Name: 2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzonitrile CAS Name: 2-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octoxy]benzonitrile IUPAC Name: 2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctoxy)benzonitrile Traditional Name: 2-(6-cyano-7-methyl-6-phenyl-2-piperazino-octoxy)benzonitrile Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC=C1C#N)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC=C1C#N)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

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