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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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