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

Systemtic Name: 4-[4-[[3-methyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[[3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile CAS Name: 4-[4-[[3-methyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[[3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[[2-keto-3-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1=O)CCCC2=CC=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1(CCN(C1=O)CCCC2=CC=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H28N2O2/c1-28(17-19-30(27(28)31)18-5-8-22-6-3-2-4-7-22)21-32-26-15-13-25(14-16-26)24-11-9-23(20-29)10-12-24/h2-4,6-7,9-16H,5,8,17-19,21H2,1H3