6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-enyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-enyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[allyl-[(2-benzyloxy-5-bromo-phenyl)methyl]amino]pyridazine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-enylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-enylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[allyl-(2-benzoxy-5-bromo-benzyl)amino]pyridazine-3-carboxylic acid Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O3/c1-2-12-26(21-11-9-19(22(27)28)24-25-21)14-17-13-18(23)8-10-20(17)29-15-16-6-4-3-5-7-16/h2-11,13H,1,12,14-15H2,(H,27,28)