1-adamantyl-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H25ClF3N3O3 MolecularWeight: 471.90041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClF3N3O3/c23-17-9-18(19(29(31)32)8-16(17)22(24,25)26)27-1-3-28(4-2-27)20(30)21-10-13-5-14(11-21)7-15(6-13)12-21/h8-9,13-15H,1-7,10-12H2