4-[1,3-benzodioxol-4-yl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[1,3-benzodioxol-4-yl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-4-yl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-4-yl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[1,3-benzodioxol-4-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-4-yl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C30H28N4O4 MolecularWeight: 508.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C4C(=CC=C3)OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C4C(=CC=C3)OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C30H28N4O4/c1-19-25(29(35)33(31(19)3)21-12-7-5-8-13-21)27(23-16-11-17-24-28(23)38-18-37-24)26-20(2)32(4)34(30(26)36)22-14-9-6-10-15-22/h5-17,27H,18H2,1-4H3