1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

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