(4E)-2-(4-bromanyl-3-methyl-phenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromanyl-3-methyl-phenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromo-3-methyl-phenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromo-3-methylphenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromo-3-methylphenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromo-3-methyl-phenyl)-5-methyl-4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methylene]-2-pyrazolin-3-one Formula: C20H18BrN5O MolecularWeight: 424.29382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CNC3=CC4=C(C=C3)N=C(N4)C)C(=N2)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)/C(=C/NC3=CC4=C(C=C3)N=C(N4)C)/C(=N2)C)Br

InChI

InChI=1S/C20H18BrN5O/c1-11-8-15(5-6-17(11)21)26-20(27)16(12(2)25-26)10-22-14-4-7-18-19(9-14)24-13(3)23-18/h4-10,22H,1-3H3,(H,23,24)/b16-10+