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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

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