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

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(3-hydroxy-1-adamantyl)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(3-hydroxy-1-adamantyl)ethanone Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4/c23-17-1-2-18(19(8-17)26(29)30)24-3-5-25(6-4-24)20(27)13-21-9-15-7-16(10-21)12-22(28,11-15)14-21/h1-2,8,15-16,28H,3-7,9-14H2