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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN(NC4=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN(NC4=O)C5=CC=CC=C5

InChI

InChI=1S/C19H22N2O/c22-18-17(12-21(20-18)16-4-2-1-3-5-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,12-15H,6-11H2,(H,20,22)