N-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl]propan-1-amine; pyridazine-3-carboxylic acid

Systemtic Name: N-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl]propan-1-amine; pyridazine-3-carboxylic acid Openeye Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]propan-1-amine; pyridazine-3-carboxylic acid CAS Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]-1-propanamine; 3-pyridazinecarboxylic acid IUPAC Name: N-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]propan-1-amine; pyridazine-3-carboxylic acid Traditional Name: [5-bromo-2-(cyclopropylmethoxy)benzyl]-propyl-amine; pyridazine-3-carboxylic acid Formula: C19H24BrN3O3 MolecularWeight: 422.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C(C=CC(=C1)Br)OCC2CC2.C1=CC(=NN=C1)C(=O)O

Isomeric SMILES

CCCNCC1=C(C=CC(=C1)Br)OCC2CC2.C1=CC(=NN=C1)C(=O)O

InChI

InChI=1S/C14H20BrNO.C5H4N2O2/c1-2-7-16-9-12-8-13(15)5-6-14(12)17-10-11-3-4-11;8-5(9)4-2-1-3-6-7-4/h5-6,8,11,16H,2-4,7,9-10H2,1H3;1-3H,(H,8,9)