[(5S)-5-tert-butyl-5-oxidanyl-3-propan-2-yl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [(5S)-5-tert-butyl-5-oxidanyl-3-propan-2-yl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [(5S)-5-tert-butyl-5-hydroxy-3-isopropyl-4H-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [(5S)-5-tert-butyl-5-hydroxy-3-propan-2-yl-4H-pyrazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [(5S)-5-tert-butyl-5-hydroxy-3-propan-2-yl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [(5S)-5-tert-butyl-5-hydroxy-3-isopropyl-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)C1=NN([C@](C1)(C(C)(C)C)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H23N3O2/c1-11(2)13-9-16(21,15(3,4)5)19(18-13)14(20)12-7-6-8-17-10-12/h6-8,10-11,21H,9H2,1-5H3/t16-/m0/s1