3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C21H16BrN5O3/c22-15-9-23-27(11-15)10-13-2-1-3-16(6-13)24-21(28)18-8-17(25-26-18)14-4-5-19-20(7-14)30-12-29-19/h1-9,11H,10,12H2,(H,24,28)(H,25,26)