1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[1-(1-azepanyl)-1-oxopropan-2-yl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C)C(=O)O

InChI

InChI=1S/C15H23N3O3/c1-10-13(15(20)21)11(2)18(16-10)12(3)14(19)17-8-6-4-5-7-9-17/h12H,4-9H2,1-3H3,(H,20,21)