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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-benzyloxy-3-bromo-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-5-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-benzoxy-3-bromo-5-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C23H23BrN4O4 MolecularWeight: 499.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C23H23BrN4O4/c1-12-18(22(29)27-25-12)20(19-13(2)26-28-23(19)30)15-9-16(24)21(17(10-15)31-3)32-11-14-7-5-4-6-8-14/h4-10,20H,11H2,1-3H3,(H2,25,27,29)(H2,26,28,30)