1-adamantyl-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2-fluoro-4-nitro-phenyl)piperazino]methanone Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26FN3O3/c22-18-10-17(25(27)28)1-2-19(18)23-3-5-24(6-4-23)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2