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

Systemtic Name: (4S)-2-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one Openeye Name: (4S)-2-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one CAS Name: (4S)-2-[(4S)-2,2-dimethyl-4-oxanyl]-5-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one Traditional Name: (4S)-2-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-4-propargyl-2-pyrazolin-3-one Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-4-8-16-17(14-9-6-5-7-10-14)20-21(18(16)22)15-11-12-23-19(2,3)13-15/h1,5-7,9-10,15-16H,8,11-13H2,2-3H3/t15-,16-/m0/s1