4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-3-carboxylate Openeye Name: 4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-methyl-3-pyrazolecarboxylate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methylpyrazole-3-carboxylate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-pyrazole-3-carboxylate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CN(N=C2C(=O)[O-])C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN(N=C2C(=O)[O-])C)C

InChI

InChI=1S/C13H19N3O3/c1-8-4-9(2)6-16(5-8)12(17)10-7-15(3)14-11(10)13(18)19/h7-9H,4-6H2,1-3H3,(H,18,19)/p-1/t8-,9-/m0/s1