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

Systemtic Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O2/c1-17(20-9-5-6-10-21(20)24)25-23(28)19-13-15-26(16-14-19)22(27)12-11-18-7-3-2-4-8-18/h2-12,17,19H,13-16H2,1H3,(H,25,28)/b12-11+/t17-/m0/s1