3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-14-20(21(26)24(23(14)2)16-6-4-3-5-7-16)22-19(25)11-9-15-8-10-17-18(12-15)28-13-27-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,25)