N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1,3-dioxo-isobenzofuran-5-carboxamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1,3-dioxo-5-isobenzofurancarboxamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dioxo-2-benzofuran-5-carboxamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1,3-diketo-phthalan-5-carboxamide Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

InChI

InChI=1S/C21H17N3O4/c1-12-18(13(2)24(23-12)11-14-6-4-3-5-7-14)22-19(25)15-8-9-16-17(10-15)21(27)28-20(16)26/h3-10H,11H2,1-2H3,(H,22,25)