4-(4-bromophenyl)-4-oxidanyl-N-[3-(3,5,5-trimethylhexanoylamino)phenyl]piperidine-1-carboxamide

Systemtic Name: 4-(4-bromophenyl)-4-oxidanyl-N-[3-(3,5,5-trimethylhexanoylamino)phenyl]piperidine-1-carboxamide Openeye Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3,5,5-trimethylhexanoylamino)phenyl]piperidine-1-carboxamide CAS Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1-piperidinecarboxamide IUPAC Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3,5,5-trimethylhexanoylamino)phenyl]piperidine-1-carboxamide Traditional Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(3,5,5-trimethylhexanoylamino)phenyl]piperidine-1-carboxamide Formula: C27H36BrN3O3 MolecularWeight: 530.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrN3O3/c1-19(18-26(2,3)4)16-24(32)29-22-6-5-7-23(17-22)30-25(33)31-14-12-27(34,13-15-31)20-8-10-21(28)11-9-20/h5-11,17,19,34H,12-16,18H2,1-4H3,(H,29,32)(H,30,33)