N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H29FN2O2/c1-18(2)24(20-9-11-22(26)12-10-20)27-25(30)21-14-16-28(17-15-21)23(29)13-8-19-6-4-3-5-7-19/h3-13,18,21,24H,14-17H2,1-2H3,(H,27,30)/b13-8+/t24-/m0/s1