(4-imidazol-1-yl-3-nitro-phenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[(3S)-3-methylpiperidino]methanone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-12-3-2-7-18(10-12)16(21)13-4-5-14(15(9-13)20(22)23)19-8-6-17-11-19/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m0/s1