4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 4-[4-[(1-pyrimidin-2-yl-4-piperidyl)oxy]phenyl]benzonitrile CAS Name: 4-[4-[[1-(2-pyrimidinyl)-4-piperidinyl]oxy]phenyl]benzonitrile IUPAC Name: 4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]benzonitrile Traditional Name: 4-[4-[[1-(2-pyrimidyl)-4-piperidyl]oxy]phenyl]benzonitrile Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=NC=CC=N4

InChI

InChI=1S/C22H20N4O/c23-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)27-21-10-14-26(15-11-21)22-24-12-1-13-25-22/h1-9,12-13,21H,10-11,14-15H2