4-[[5-(3-bromanyl-4-methyl-phenyl)furan-2-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[5-(3-bromanyl-4-methyl-phenyl)furan-2-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[5-(3-bromo-4-methyl-phenyl)-2-furyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[5-(3-bromo-4-methylphenyl)-2-furanyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[5-(3-bromo-4-methylphenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[[5-(3-bromo-4-methyl-phenyl)-2-furyl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Br

InChI

InChI=1S/C20H19BrN4O3/c1-9-4-5-12(8-13(9)21)14-6-7-15(28-14)18(16-10(2)22-24-19(16)26)17-11(3)23-25-20(17)27/h4-8,18H,1-3H3,(H2,22,24,26)(H2,23,25,27)