(4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one Openeye Name: (4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one CAS Name: (4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4R)-4-(tert-butyliminomethyl)-2-(3,4-dimethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C17H23N3O MolecularWeight: 285.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)C=NC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@@H](C(=N2)C)C=NC(C)(C)C)C

InChI

InChI=1S/C17H23N3O/c1-11-7-8-14(9-12(11)2)20-16(21)15(13(3)19-20)10-18-17(4,5)6/h7-10,15H,1-6H3/t15-/m1/s1