[5-[(7-oxidanylideneazepan-2-yl)methyl]-1H-pyrazol-3-yl] ethanoate

Systemtic Name: [5-[(7-oxidanylideneazepan-2-yl)methyl]-1H-pyrazol-3-yl] ethanoate Openeye Name: [5-[(7-oxoazepan-2-yl)methyl]-1H-pyrazol-3-yl] acetate CAS Name: acetic acid [5-[(7-oxo-2-azepanyl)methyl]-1H-pyrazol-3-yl] ester IUPAC Name: [5-[(7-oxoazepan-2-yl)methyl]-1H-pyrazol-3-yl] acetate Traditional Name: acetic acid [5-[(7-ketoazepan-2-yl)methyl]-1H-pyrazol-3-yl] ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NNC(=C1)CC2CCCCC(=O)N2

Isomeric SMILES

CC(=O)OC1=NNC(=C1)CC2CCCCC(=O)N2

InChI

InChI=1S/C12H17N3O3/c1-8(16)18-12-7-10(14-15-12)6-9-4-2-3-5-11(17)13-9/h7,9H,2-6H2,1H3,(H,13,17)(H,14,15)