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

Systemtic Name: 4-[[5-(4-bromophenyl)furan-2-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[5-(4-bromophenyl)-2-furyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[5-(4-bromophenyl)-2-furanyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[5-(4-bromophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[[5-(4-bromophenyl)-2-furyl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=C(C=C3)Br)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=C(C=C3)Br)C4=C(NNC4=O)C

InChI

InChI=1S/C19H17BrN4O3/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-8-7-13(27-14)11-3-5-12(20)6-4-11/h3-8,17H,1-2H3,(H2,21,23,25)(H2,22,24,26)