1-[(2R)-1-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-[3-(4-chloro-3-methyl-1-pyrazolyl)propylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C14H17ClN5O3- MolecularWeight: 338.76948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCNC(=O)C(C)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Cl)CCCNC(=O)[C@@H](C)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C14H18ClN5O3/c1-9-12(15)8-19(18-9)5-3-4-16-13(21)10(2)20-7-11(6-17-20)14(22)23/h6-8,10H,3-5H2,1-2H3,(H,16,21)(H,22,23)/p-1/t10-/m1/s1