N-[4-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H19N3O4/c1-13-11-14(2)24(23-13)21(26)15-7-9-16(10-8-15)22-20(25)19-12-27-17-5-3-4-6-18(17)28-19/h3-11,19H,12H2,1-2H3,(H,22,25)