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

Systemtic Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C33H43FN2O3 MolecularWeight: 534.704523

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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)C4CCCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCCCCCC4)OC

InChI

InChI=1S/C33H43FN2O3/c1-38-30-18-15-28(21-31(30)39-2)33(24-35,27-11-7-4-3-5-8-12-27)22-26(23-36-19-9-6-10-20-36)32(37)25-13-16-29(34)17-14-25/h13-18,21,26-27H,3-12,19-20,22-23H2,1-2H3