[5-(4-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine

Systemtic Name: [5-(4-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine Openeye Name: [5-(4-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine CAS Name: [5-(4-bromophenoxy)-1,3-dimethyl-4-pyrazolyl]methanamine IUPAC Name: [5-(4-bromophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine Traditional Name: [5-(4-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]methylamine Formula: C12H14BrN3O MolecularWeight: 296.16306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)OC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=NN(C(=C1CN)OC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C12H14BrN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-9(13)4-6-10/h3-6H,7,14H2,1-2H3