4-[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]benzonitrile Traditional Name: 4-[4-(2-hydroxy-3-piperidino-propoxy)phenyl]benzonitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1CCN(CC1)CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H24N2O2/c22-14-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-16-20(24)15-23-12-2-1-3-13-23/h4-11,20,24H,1-3,12-13,15-16H2