1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[[(1S)-1-(1,3-dimethyl-4-pyrazolyl)ethyl]amino]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-keto-ethyl]pyrazole-3-carboxylate Formula: C13H16N5O3- MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=O)CN2C=CC(=N2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1[C@H](C)NC(=O)CN2C=CC(=N2)C(=O)[O-])C

InChI

InChI=1S/C13H17N5O3/c1-8(10-6-17(3)15-9(10)2)14-12(19)7-18-5-4-11(16-18)13(20)21/h4-6,8H,7H2,1-3H3,(H,14,19)(H,20,21)/p-1/t8-/m0/s1