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

Systemtic Name: 4-(4-bromophenyl)-N-[3-(3-methylbutanoylamino)phenyl]-4-oxidanyl-piperidine-1-carboxamide Openeye Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3-methylbutanoylamino)phenyl]piperidine-1-carboxamide CAS Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-1-piperidinecarboxamide IUPAC Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3-methylbutanoylamino)phenyl]piperidine-1-carboxamide Traditional Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(isovalerylamino)phenyl]piperidine-1-carboxamide Formula: C23H28BrN3O3 MolecularWeight: 474.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C23H28BrN3O3/c1-16(2)14-21(28)25-19-4-3-5-20(15-19)26-22(29)27-12-10-23(30,11-13-27)17-6-8-18(24)9-7-17/h3-9,15-16,30H,10-14H2,1-2H3,(H,25,28)(H,26,29)