ethyl 4-[2-(aminomethyl)-6-bromanyl-3-phenylmethoxy-phenyl]pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-(aminomethyl)-6-bromanyl-3-phenylmethoxy-phenyl]pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-(aminomethyl)-3-benzyloxy-6-bromo-phenyl]pyridazine-3-carboxylate CAS Name: 4-[2-(aminomethyl)-6-bromo-3-phenylmethoxyphenyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(aminomethyl)-6-bromo-3-phenylmethoxyphenyl]pyridazine-3-carboxylate Traditional Name: 4-[2-(aminomethyl)-3-benzoxy-6-bromo-phenyl]pyridazine-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN=N1)C2=C(C=CC(=C2CN)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C=CN=N1)C2=C(C=CC(=C2CN)OCC3=CC=CC=C3)Br

InChI

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