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

Systemtic Name: 2-(1-adamantyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c23-18-1-2-19(20(10-18)26(28)29)24-3-5-25(6-4-24)21(27)14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2