[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [(1S)-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2S)-1-[[2-[(2S)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-2-keto-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N4O3/c1-4-12(2)22-16(9-10-20-22)21-17(23)13(3)25-18(24)15-7-5-14(11-19)6-8-15/h5-10,12-13H,4H2,1-3H3,(H,21,23)/t12-,13-/m0/s1