3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)Br

InChI

InChI=1S/C21H20BrN3O3/c1-13-20(22)14(2)25(24-13)12-15-4-3-5-16(10-15)21(26)23-17-6-7-18-19(11-17)28-9-8-27-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,26)