(2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one

Systemtic Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one Openeye Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one CAS Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-pentanone IUPAC Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one Traditional Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazino]pentan-1-one Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-3-4-13(2)16(20)18-11-9-17(10-12-18)14-5-7-15(8-6-14)19(21)22/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m0/s1