2-(3-bromanyl-1-adamantyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C22H27BrClN3O3 MolecularWeight: 496.82508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H27BrClN3O3/c23-22-11-15-7-16(12-22)10-21(9-15,14-22)13-20(28)26-5-3-25(4-6-26)18-2-1-17(24)8-19(18)27(29)30/h1-2,8,15-16H,3-7,9-14H2