2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile

Systemtic Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCCCC4)OC

InChI

InChI=1S/C31H39FN2O3/c1-36-28-16-13-26(19-29(28)37-2)31(22-33,25-9-5-3-6-10-25)20-24(21-34-17-7-4-8-18-34)30(35)23-11-14-27(32)15-12-23/h11-16,19,24-25H,3-10,17-18,20-21H2,1-2H3