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

Systemtic Name: 4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC

InChI

InChI=1S/C18H21BrN4O4/c1-5-27-16-11(19)6-10(7-12(16)26-4)15(13-8(2)20-22-17(13)24)14-9(3)21-23-18(14)25/h6-7,15H,5H2,1-4H3,(H2,20,22,24)(H2,21,23,25)