4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C21H20BrN3O3/c1-2-25(18-10-11-23-24-20(18)21(26)27)13-16-12-17(22)8-9-19(16)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H,26,27)