4-[4-[[2-oxidanylidene-1,3-bis(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[[2-oxidanylidene-1,3-bis(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[[2-oxo-1,3-bis(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile CAS Name: 4-[4-[[2-oxo-1,3-bis(3-phenylpropyl)-3-pyrrolidinyl]methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[[2-oxo-1,3-bis(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[[2-keto-1,3-bis(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Formula: C36H36N2O2 MolecularWeight: 528.68324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CCCC2=CC=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C1(CCCC2=CC=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)CCCC5=CC=CC=C5

InChI

InChI=1S/C36H36N2O2/c37-27-31-15-17-32(18-16-31)33-19-21-34(22-20-33)40-28-36(23-7-13-29-9-3-1-4-10-29)24-26-38(35(36)39)25-8-14-30-11-5-2-6-12-30/h1-6,9-12,15-22H,7-8,13-14,23-26,28H2