(E)-2-(4-fluorophenyl)carbonyl-3-piperidin-1-yl-but-2-enenitrile

Systemtic Name: (E)-2-(4-fluorophenyl)carbonyl-3-piperidin-1-yl-but-2-enenitrile Openeye Name: (E)-2-(4-fluorobenzoyl)-3-(1-piperidyl)but-2-enenitrile CAS Name: (E)-2-[(4-fluorophenyl)-oxomethyl]-3-(1-piperidinyl)-2-butenenitrile IUPAC Name: (E)-2-(4-fluorobenzoyl)-3-piperidin-1-ylbut-2-enenitrile Traditional Name: (E)-2-(4-fluorobenzoyl)-3-piperidino-but-2-enenitrile Formula: C16H17FN2O MolecularWeight: 272.317383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC=C(C=C1)F)N2CCCCC2

Isomeric SMILES

C/C(=C(/C#N)\C(=O)C1=CC=C(C=C1)F)/N2CCCCC2

InChI

InChI=1S/C16H17FN2O/c1-12(19-9-3-2-4-10-19)15(11-18)16(20)13-5-7-14(17)8-6-13/h5-8H,2-4,9-10H2,1H3/b15-12+