2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H20ClN3O4/c1-13-19(21(27)25(24(13)2)15-6-4-3-5-7-15)23-18(26)12-14-10-16(22)20-17(11-14)28-8-9-29-20/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,26)