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

Systemtic Name: 2-cyclopropyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)pentanenitrile Openeye Name: 2-cyclopropyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidylmethyl)pentanenitrile CAS Name: 2-cyclopropyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(1-piperidinylmethyl)pentanenitrile IUPAC Name: 2-cyclopropyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-oxo-4-(piperidin-1-ylmethyl)pentanenitrile Traditional Name: 2-cyclopropyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5-keto-4-(piperidinomethyl)valeronitrile Formula: C28H33FN2O3 MolecularWeight: 464.571623

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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)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CC4)OC

InChI

InChI=1S/C28H33FN2O3/c1-33-25-13-10-23(16-26(25)34-2)28(19-30,22-8-9-22)17-21(18-31-14-4-3-5-15-31)27(32)20-6-11-24(29)12-7-20/h6-7,10-13,16,21-22H,3-5,8-9,14-15,17-18H2,1-2H3