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

Systemtic Name: 4-(1-adamantyl)-2,5-dimethyl-1-pyridin-2-yl-pyrazol-3-one Openeye Name: 4-(1-adamantyl)-2,5-dimethyl-1-(2-pyridyl)pyrazol-3-one CAS Name: 4-(1-adamantyl)-2,5-dimethyl-1-(2-pyridinyl)-3-pyrazolone IUPAC Name: 4-(1-adamantyl)-2,5-dimethyl-1-pyridin-2-ylpyrazol-3-one Traditional Name: 4-(1-adamantyl)-2,5-dimethyl-1-(2-pyridyl)-3-pyrazolin-3-one Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=N2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=N2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3O/c1-13-18(19(24)22(2)23(13)17-5-3-4-6-21-17)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,7-12H2,1-2H3