N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H18BrN3O3/c1-12-19(13(2)24(23-12)14-6-4-3-5-7-14)20(25)22-16-11-18-17(10-15(16)21)26-8-9-27-18/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)