4-[[4-[(4-bromophenyl)methoxy]phenyl]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[[4-[(4-bromophenyl)methoxy]phenyl]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[[4-[(4-bromophenyl)methoxy]phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[[4-[(4-bromophenyl)methoxy]phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[[4-[(4-bromophenyl)methoxy]phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[[4-(4-bromobenzyl)oxyphenyl]-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C34H29BrN4O3 MolecularWeight: 621.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H29BrN4O3/c1-22-30(33(40)38(36-22)27-9-5-3-6-10-27)32(31-23(2)37-39(34(31)41)28-11-7-4-8-12-28)25-15-19-29(20-16-25)42-21-24-13-17-26(35)18-14-24/h3-20,32,36-37H,21H2,1-2H3