1-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-10(16-9-11(8-14-16)13(18)19)12(17)15-6-4-2-3-5-7-15/h8-10H,2-7H2,1H3,(H,18,19)/p-1/t10-/m1/s1