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

Systemtic Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C29H35FN2O3 MolecularWeight: 478.598203

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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)C4CCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCC4)OC

InChI

InChI=1S/C29H35FN2O3/c1-34-26-14-11-24(17-27(26)35-2)29(20-31,23-7-6-8-23)18-22(19-32-15-4-3-5-16-32)28(33)21-9-12-25(30)13-10-21/h9-14,17,22-23H,3-8,15-16,18-19H2,1-2H3