4-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile

Systemtic Name: 4-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzenecarbonitrile Openeye Name: 4-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)benzonitrile CAS Name: 4-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octoxy]benzonitrile IUPAC Name: 4-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctoxy)benzonitrile Traditional Name: 4-(6-cyano-7-methyl-6-phenyl-2-piperazino-octoxy)benzonitrile Formula: C27H34N4O MolecularWeight: 430.58506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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