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

Systemtic Name: 2-adamantyl-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 2-adamantyl-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 2-adamantyl-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 2-adamantyl-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 2-adamantyl-[4-(4-chloro-2-nitro-phenyl)piperazino]methanone Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H26ClN3O3/c22-17-1-2-18(19(12-17)25(27)28)23-3-5-24(6-4-23)21(26)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2