4-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCCO4)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=CC4=C(C=C3)OCCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C31H30N4O4/c1-20-27(30(36)34(32(20)3)23-11-7-5-8-12-23)29(22-15-16-25-26(19-22)39-18-17-38-25)28-21(2)33(4)35(31(28)37)24-13-9-6-10-14-24/h5-16,19,29H,17-18H2,1-4H3