(4Z)-2-(4-bromanyl-3-methyl-phenyl)-4-[(3-methoxypropylamino)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-bromanyl-3-methyl-phenyl)-4-[(3-methoxypropylamino)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-bromo-3-methyl-phenyl)-4-[(3-methoxypropylamino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(4-bromo-3-methylphenyl)-4-[(3-methoxypropylamino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-bromo-3-methylphenyl)-4-[(3-methoxypropylamino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(4-bromo-3-methyl-phenyl)-4-[(3-methoxypropylamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C16H20BrN3O2 MolecularWeight: 366.2529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)/C(=C\NCCCOC)/C(=N2)C)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/h5-6,9-10,18H,4,7-8H2,1-3H3/b14-10-