ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridazine-3-carboxylate Openeye Name: ethyl 6-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyridazine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

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