4-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-4-isopropoxy-5-methoxy-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-bromo-4-isopropoxy-5-methoxy-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C33H35BrN4O4 MolecularWeight: 631.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OC(C)C)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OC(C)C)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C33H35BrN4O4/c1-20(2)42-31-26(34)18-23(19-27(31)41-7)30(28-21(3)35(5)37(32(28)39)24-14-10-8-11-15-24)29-22(4)36(6)38(33(29)40)25-16-12-9-13-17-25/h8-20,30H,1-7H3