N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-1,3-benzodioxol-2-amine

Systemtic Name: N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-1,3-benzodioxol-2-amine Openeye Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]-1,3-benzodioxol-2-amine CAS Name: N-[3-(4-bromo-2-methyl-3-pyrazolyl)phenyl]-1,3-benzodioxol-2-amine IUPAC Name: N-[3-(4-bromo-2-methylpyrazol-3-yl)phenyl]-1,3-benzodioxol-2-amine Traditional Name: 1,3-benzodioxol-2-yl-[3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]amine Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3OC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3OC4=CC=CC=C4O3

InChI

InChI=1S/C17H14BrN3O2/c1-21-16(13(18)10-19-21)11-5-4-6-12(9-11)20-17-22-14-7-2-3-8-15(14)23-17/h2-10,17,20H,1H3