(2-oxidanylideneazepan-3-yl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (2-oxoazepan-3-yl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OC2CCCCNC2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OC2CCCCNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4/c1-23-14-11-20(12-7-3-2-4-8-12)19-15(14)17(22)24-13-9-5-6-10-18-16(13)21/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,21)