3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C28H26N4O5 MolecularWeight: 498.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H26N4O5/c1-18-26(28(35)32(31(18)2)22-9-4-3-5-10-22)30-27(34)20-7-6-8-21(17-20)29-25(33)16-19-11-12-23-24(15-19)37-14-13-36-23/h3-12,15,17H,13-14,16H2,1-2H3,(H,29,33)(H,30,34)