(2S)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]hexan-1-one

Systemtic Name: (2S)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]hexan-1-one Openeye Name: (2S)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]hexan-1-one CAS Name: (2S)-2-ethyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-hexanone IUPAC Name: (2S)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]hexan-1-one Traditional Name: (2S)-2-ethyl-1-[4-(4-nitrophenyl)piperazino]hexan-1-one Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O3/c1-3-5-6-15(4-2)18(22)20-13-11-19(12-14-20)16-7-9-17(10-8-16)21(23)24/h7-10,15H,3-6,11-14H2,1-2H3/t15-/m0/s1