5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodanyl-4-methyl-phenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodanyl-4-methyl-phenyl)-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodo-4-methyl-phenyl)-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodo-4-methylphenyl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodo-4-methylphenyl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodo-4-methyl-phenyl)-1H-pyrazole-4-carboxamide Formula: C19H16IN3O3 MolecularWeight: 461.25311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)I

InChI

InChI=1S/C19H16IN3O3/c1-11-2-4-13(9-15(11)20)22-19(24)14-10-21-23-18(14)12-3-5-16-17(8-12)26-7-6-25-16/h2-5,8-10H,6-7H2,1H3,(H,21,23)(H,22,24)