[(4R,5R)-3,5-dimethyl-5-oxidanyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [(4R,5R)-3,5-dimethyl-5-oxidanyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [(4R,5R)-4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [(4R,5R)-5-hydroxy-3,5-dimethyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [(4R,5R)-4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [(4R,5R)-4-benzyl-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C18H19N3O2 MolecularWeight: 309.36236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1CC2=CC=CC=C2)(C)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=NN([C@]([C@@H]1CC2=CC=CC=C2)(C)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O2/c1-13-16(11-14-7-4-3-5-8-14)18(2,23)21(20-13)17(22)15-9-6-10-19-12-15/h3-10,12,16,23H,11H2,1-2H3/t16-,18-/m1/s1