4-(4-bromophenyl)-4-oxidanyl-N-[3-(3-phenylpropanoylamino)phenyl]piperidine-1-carboxamide

Systemtic Name: 4-(4-bromophenyl)-4-oxidanyl-N-[3-(3-phenylpropanoylamino)phenyl]piperidine-1-carboxamide Openeye Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3-phenylpropanoylamino)phenyl]piperidine-1-carboxamide CAS Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-1-piperidinecarboxamide IUPAC Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3-phenylpropanoylamino)phenyl]piperidine-1-carboxamide Traditional Name: 4-(4-bromophenyl)-N-[3-(hydrocinnamoylamino)phenyl]-4-hydroxy-piperidine-1-carboxamide Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)NC3=CC=CC(=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)NC3=CC=CC(=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O3/c28-22-12-10-21(11-13-22)27(34)15-17-31(18-16-27)26(33)30-24-8-4-7-23(19-24)29-25(32)14-9-20-5-2-1-3-6-20/h1-8,10-13,19,34H,9,14-18H2,(H,29,32)(H,30,33)