5-(1-adamantyl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-(1-adamantyl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(1-adamantyl)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(1-adamantyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(1-adamantyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(1-adamantyl)-2-phenyl-2-pyrazolin-3-one Formula: C19H22N2O MolecularWeight: 294.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=O)C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C19H22N2O/c22-18-9-17(20-21(18)16-4-2-1-3-5-16)19-10-13-6-14(11-19)8-15(7-13)12-19/h1-5,13-15H,6-12H2