N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

Systemtic Name: N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Openeye Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine CAS Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(1,5-dimethyl-4-pyrazolyl)ethanamine IUPAC Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[1-(1,5-dimethylpyrazol-4-yl)ethyl]amine Formula: C15H18BrN3O2 MolecularWeight: 352.22632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NCC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CC1=C(C=NN1C)C(C)NCC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C15H18BrN3O2/c1-9(12-7-18-19(3)10(12)2)17-6-11-4-13(16)15-14(5-11)20-8-21-15/h4-5,7,9,17H,6,8H2,1-3H3