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

Systemtic Name: 4-[4-[[1-(3-cyclohexylpropyl)-2-oxidanylidene-pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-(3-cyclohexylpropyl)-2-oxo-pyrrolidin-3-yl]methoxy]phenyl]benzonitrile CAS Name: 4-[4-[[1-(3-cyclohexylpropyl)-2-oxo-3-pyrrolidinyl]methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[[1-(3-cyclohexylpropyl)-2-oxopyrrolidin-3-yl]methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[[1-(3-cyclohexylpropyl)-2-keto-pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCN2CCC(C2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)CCCN2CCC(C2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N2O2/c28-19-22-8-10-23(11-9-22)24-12-14-26(15-13-24)31-20-25-16-18-29(27(25)30)17-4-7-21-5-2-1-3-6-21/h8-15,21,25H,1-7,16-18,20H2