3-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile

Systemtic Name: 3-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile Openeye Name: 3-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzonitrile CAS Name: 3-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octoxy]benzonitrile IUPAC Name: 3-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctoxy)benzonitrile Traditional Name: 3-(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(=C1)C#N)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

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