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

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

Systemtic Name:4-(1-adamantyl)-2-ethyl-5-methyl-1-phenyl-pyrazol-3-one
Openeye Name:4-(1-adamantyl)-2-ethyl-5-methyl-1-phenyl-pyrazol-3-one
CAS Name:4-(1-adamantyl)-2-ethyl-5-methyl-1-phenyl-3-pyrazolone
IUPAC Name:4-(1-adamantyl)-2-ethyl-5-methyl-1-phenylpyrazol-3-one
Traditional Name:4-(1-adamantyl)-2-ethyl-5-methyl-1-phenyl-3-pyrazolin-3-one
Formula: C22H28N2O
MolecularWeight: 336.47052
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N1C2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCN1C(=O)C(=C(N1C2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C22H28N2O/c1-3-23-21(25)20(15(2)24(23)19-7-5-4-6-8-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h4-8,16-18H,3,9-14H2,1-2H3


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