5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-1H-pyrimidin-4-one CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(4-benzylpiperidino)-5-nitro-1H-pyrimidin-4-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c21-16-14(20(22)23)15(17-11-18-16)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,18,21)