1-adamantyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c25-20(21-12-15-9-16(13-21)11-17(10-15)14-21)23-7-5-22(6-8-23)18-1-3-19(4-2-18)24(26)27/h1-4,15-17H,5-14H2