2-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-[(4S)-2,2-dimethyl-4-oxanyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-2-pyrazolin-3-one Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=O)CC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@H](CCO1)N2C(=O)CC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H20N2O2/c1-16(2)11-13(8-9-20-16)18-15(19)10-14(17-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1