3-(1,3-benzodioxol-5-yl)-N-(5-bromanylquinolin-8-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(5-bromanylquinolin-8-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(5-bromo-8-quinolyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(5-bromo-8-quinolinyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(5-bromoquinolin-8-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(5-bromo-8-quinolyl)-1H-pyrazole-5-carboxamide Formula: C20H13BrN4O3 MolecularWeight: 437.24622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C20H13BrN4O3/c21-13-4-5-14(19-12(13)2-1-7-22-19)23-20(26)16-9-15(24-25-16)11-3-6-17-18(8-11)28-10-27-17/h1-9H,10H2,(H,23,26)(H,24,25)