[4-(4-nitrophenyl)piperazin-1-yl]-[(5S,7R)-3-oxidanyl-1-adamantyl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[(5S,7R)-3-oxidanyl-1-adamantyl]methanone Openeye Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H27N3O4 MolecularWeight: 385.45678

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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)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H27N3O4/c25-19(20-10-15-9-16(11-20)13-21(26,12-15)14-20)23-7-5-22(6-8-23)17-1-3-18(4-2-17)24(27)28/h1-4,15-16,26H,5-14H2/t15-,16+,20?,21?