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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CC1C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C21H18BrN3O3/c22-16-10-18-19(28-9-8-27-18)11-17(16)24-21(26)15-12-23-25(20(15)13-6-7-13)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,24,26)