4-[2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]phenyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]phenyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]phenyl]-2-methyl-benzonitrile CAS Name: 4-[2-[4-[2-(4-cyanophenoxy)ethyl]-1-piperazinyl]phenyl]-2-methylbenzonitrile IUPAC Name: 4-[2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]phenyl]-2-methylbenzonitrile Traditional Name: 4-[2-[4-[2-(4-cyanophenoxy)ethyl]piperazino]phenyl]-2-methyl-benzonitrile Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2N3CCN(CC3)CCOC4=CC=C(C=C4)C#N)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2N3CCN(CC3)CCOC4=CC=C(C=C4)C#N)C#N

InChI

InChI=1S/C27H26N4O/c1-21-18-23(8-9-24(21)20-29)26-4-2-3-5-27(26)31-14-12-30(13-15-31)16-17-32-25-10-6-22(19-28)7-11-25/h2-11,18H,12-17H2,1H3