1-[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]-N-phenyl-nipecotamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O3/c1-15(24-20(27)16-9-11-18(23)12-10-16)22(29)26-13-5-6-17(14-26)21(28)25-19-7-3-2-4-8-19/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H,24,27)(H,25,28)/t15-,17?/m0/s1