(4E)-4-[(4-bromanyl-1-methyl-indol-3-yl)methylidene]-3-(1-methylindazol-3-yl)-1H-pyrazol-5-one

Systemtic Name: (4E)-4-[(4-bromanyl-1-methyl-indol-3-yl)methylidene]-3-(1-methylindazol-3-yl)-1H-pyrazol-5-one Openeye Name: (4E)-4-[(4-bromo-1-methyl-indol-3-yl)methylene]-3-(1-methylindazol-3-yl)-1H-pyrazol-5-one CAS Name: (4E)-4-[(4-bromo-1-methyl-3-indolyl)methylidene]-3-(1-methyl-3-indazolyl)-1H-pyrazol-5-one IUPAC Name: (4E)-4-[(4-bromo-1-methylindol-3-yl)methylidene]-3-(1-methylindazol-3-yl)-1H-pyrazol-5-one Traditional Name: (4E)-4-[(4-bromo-1-methyl-indol-3-yl)methylene]-5-(1-methylindazol-3-yl)-2-pyrazolin-3-one Formula: C21H16BrN5O MolecularWeight: 434.28864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC=C2Br)C=C3C(=NNC3=O)C4=NN(C5=CC=CC=C54)C

Isomeric SMILES

CN1C=C(C2=C1C=CC=C2Br)/C=C/3\C(=NNC3=O)C4=NN(C5=CC=CC=C54)C

InChI

InChI=1S/C21H16BrN5O/c1-26-11-12(18-15(22)7-5-9-17(18)26)10-14-19(23-24-21(14)28)20-13-6-3-4-8-16(13)27(2)25-20/h3-11H,1-2H3,(H,24,28)/b14-10+