2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(1,2,3-triazol-1-yl)-1H-pyrazol-3-one

Systemtic Name: 2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(1,2,3-triazol-1-yl)-1H-pyrazol-3-one Openeye Name: 2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one CAS Name: 2-[6-(1,4-oxazepan-4-yl)-4-pyrimidinyl]-4-(1-triazolyl)-1H-pyrazol-3-one IUPAC Name: 2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one Traditional Name: 2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-3-pyrazolin-3-one Formula: C14H16N8O2 MolecularWeight: 328.32924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=NC=NC(=C2)N3C(=O)C(=CN3)N4C=CN=N4

Isomeric SMILES

C1CN(CCOC1)C2=NC=NC(=C2)N3C(=O)C(=CN3)N4C=CN=N4

InChI

InChI=1S/C14H16N8O2/c23-14-11(21-4-2-17-19-21)9-18-22(14)13-8-12(15-10-16-13)20-3-1-6-24-7-5-20/h2,4,8-10,18H,1,3,5-7H2