N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-27(2)23(21-11-7-4-8-12-21)19-26-25(30)22-15-17-28(18-16-22)24(29)14-13-20-9-5-3-6-10-20/h3-14,22-23H,15-19H2,1-2H3,(H,26,30)/b14-13+/t23-/m1/s1