6-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine

Systemtic Name: 6-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine Openeye Name: 6-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine CAS Name: 6-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine IUPAC Name: 6-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C13H14ClN3O2/c1-7-9(8(2)17-16-7)5-15-11-4-13-12(3-10(11)14)18-6-19-13/h3-4,15H,5-6H2,1-2H3,(H,16,17)