[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O3/c1-13(2)22(14(3)4)18(23)15(5)25-19(24)16-11-20-21(12-16)17-9-7-6-8-10-17/h6-15H,1-5H3/t15-/m0/s1