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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C25H29FN2O3 MolecularWeight: 424.507763

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-30-23-11-8-19(15-24(23)31-2)20(16-27)14-21(17-28-12-4-3-5-13-28)25(29)18-6-9-22(26)10-7-18/h6-11,15,20-21H,3-5,12-14,17H2,1-2H3