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

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[3-bromo-5-ethoxy-4-(1-naphthalenylmethoxy)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C28H27BrN4O4 MolecularWeight: 563.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Br)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Br)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27BrN4O4/c1-4-36-22-13-19(25(23-15(2)30-32-27(23)34)24-16(3)31-33-28(24)35)12-21(29)26(22)37-14-18-10-7-9-17-8-5-6-11-20(17)18/h5-13,25H,4,14H2,1-3H3,(H2,30,32,34)(H2,31,33,35)