4-[3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propanoyl]piperazine-1-carbaldehyde CAS Name: 4-[3-(5-bromo-2-hydroxyphenyl)-1-oxo-3-phenylpropyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoyl]piperazine-1-carbaldehyde Traditional Name: 4-[3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propanoyl]piperazine-1-carbaldehyde Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H21BrN2O3/c21-16-6-7-19(25)18(12-16)17(15-4-2-1-3-5-15)13-20(26)23-10-8-22(14-24)9-11-23/h1-7,12,14,17,25H,8-11,13H2