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

Systemtic Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C24H27BrN2O2 MolecularWeight: 455.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN2O2/c1-2-22(19-9-11-21(25)12-10-19)26-24(29)20-14-16-27(17-15-20)23(28)13-8-18-6-4-3-5-7-18/h3-13,20,22H,2,14-17H2,1H3,(H,26,29)/b13-8+/t22-/m0/s1