(2S)-2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

Systemtic Name: (2S)-2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one Openeye Name: (2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidyl]propan-1-one CAS Name: (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidinyl]-1-propanone IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one Traditional Name: (2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidino]propan-1-one Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)C(CC4=CC(=C(C=C4)O)[N+](=O)[O-])N

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)[C@H](CC4=CC(=C(C=C4)O)[N+](=O)[O-])N

InChI

InChI=1S/C23H25N5O4/c24-17(12-15-9-10-21(29)20(13-15)28(31)32)23(30)27-11-5-4-8-19(27)22-25-14-18(26-22)16-6-2-1-3-7-16/h1-3,6-7,9-10,13-14,17,19,29H,4-5,8,11-12,24H2,(H,25,26)/t17-,19-/m0/s1