N-(6-ethanoyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-pyrazole-3-carboxamide Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4/c1-12-8-17(23(22-12)14-6-4-3-5-7-14)20(25)21-16-10-19-18(26-11-27-19)9-15(16)13(2)24/h3-10H,11H2,1-2H3,(H,21,25)