N-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl]ethanamine; pyridazine-3-carboxylic acid

Systemtic Name: N-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl]ethanamine; pyridazine-3-carboxylic acid Openeye Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]ethanamine; pyridazine-3-carboxylic acid CAS Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]ethanamine; 3-pyridazinecarboxylic acid IUPAC Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]ethanamine; pyridazine-3-carboxylic acid Traditional Name: [5-bromo-2-(cyclopropylmethoxy)benzyl]-ethyl-amine; pyridazine-3-carboxylic acid Formula: C18H22BrN3O3 MolecularWeight: 408.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2CC2.C1=CC(=NN=C1)C(=O)O

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2CC2.C1=CC(=NN=C1)C(=O)O

InChI

InChI=1S/C13H18BrNO.C5H4N2O2/c1-2-15-8-11-7-12(14)5-6-13(11)16-9-10-3-4-10;8-5(9)4-2-1-3-6-7-4/h5-7,10,15H,2-4,8-9H2,1H3;1-3H,(H,8,9)