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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C27H33FN2O3 MolecularWeight: 452.560923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H33FN2O3/c1-4-27(19-29,22-10-13-24(32-2)25(16-22)33-3)17-21(18-30-14-6-5-7-15-30)26(31)20-8-11-23(28)12-9-20/h8-13,16,21H,4-7,14-15,17-18H2,1-3H3