4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-(4-tert-butylbenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-pyrazolin-3-one Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H26N4O/c1-13-11-14(2)23-20(22-13)25-19(26)18(15(3)24-25)12-16-7-9-17(10-8-16)21(4,5)6/h7-11,24H,12H2,1-6H3