1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H28N4O4/c1-18-21(19(2)30(27-18)20-8-4-3-5-9-20)16-25(31)28-12-14-29(15-13-28)26(32)24-17-33-22-10-6-7-11-23(22)34-24/h3-11,24H,12-17H2,1-2H3