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

Systemtic Name: 4-(1-adamantyl)-2,5-dimethyl-1-phenyl-pyrazol-3-one Openeye Name: 4-(1-adamantyl)-2,5-dimethyl-1-phenyl-pyrazol-3-one CAS Name: 4-(1-adamantyl)-2,5-dimethyl-1-phenyl-3-pyrazolone IUPAC Name: 4-(1-adamantyl)-2,5-dimethyl-1-phenylpyrazol-3-one Traditional Name: 4-(1-adamantyl)-2,5-dimethyl-1-phenyl-3-pyrazolin-3-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O/c1-14-19(20(24)22(2)23(14)18-6-4-3-5-7-18)21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17H,8-13H2,1-2H3