[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-bromanyl-2-fluoranyl-phenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-bromanyl-2-fluoranyl-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-bromo-2-fluoro-phenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(5-bromo-2-fluorophenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-bromo-2-fluorophenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-bromo-2-fluoro-phenyl)methanone Formula: C22H26BrFN2O2 MolecularWeight: 449.356443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26BrFN2O2/c23-17-1-2-19(24)18(10-17)20(27)25-3-5-26(6-4-25)21(28)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-2,10,14-16H,3-9,11-13H2