(4R)-2-(4-bromanyl-3-methyl-phenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(4-bromanyl-3-methyl-phenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(4-bromo-3-methyl-phenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-4H-pyrazol-3-one CAS Name: (4R)-2-(4-bromo-3-methylphenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(4-bromo-3-methylphenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(4-bromo-3-methyl-phenyl)-4-(3-methoxypropyliminomethyl)-5-methyl-2-pyrazolin-3-one Formula: C16H20BrN3O2 MolecularWeight: 366.2529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(C(=N2)C)C=NCCCOC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)[C@@H](C(=N2)C)C=NCCCOC)Br

InChI

InChI=1S/C16H20BrN3O2/c1-11-9-13(5-6-15(11)17)20-16(21)14(12(2)19-20)10-18-7-4-8-22-3/h5-6,9-10,14H,4,7-8H2,1-3H3/t14-/m1/s1