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

Systemtic Name: 4-(1-adamantyl)-2,5-dimethyl-1-(phenylmethyl)pyrazol-3-one Openeye Name: 4-(1-adamantyl)-1-benzyl-2,5-dimethyl-pyrazol-3-one CAS Name: 4-(1-adamantyl)-2,5-dimethyl-1-(phenylmethyl)-3-pyrazolone IUPAC Name: 4-(1-adamantyl)-1-benzyl-2,5-dimethylpyrazol-3-one Traditional Name: 4-(1-adamantyl)-1-benzyl-2,5-dimethyl-3-pyrazolin-3-one Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1CC2=CC=CC=C2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2O/c1-15-20(22-11-17-8-18(12-22)10-19(9-17)13-22)21(25)23(2)24(15)14-16-6-4-3-5-7-16/h3-7,17-19H,8-14H2,1-2H3