butyl 6-[(5-bromanyl-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[(5-bromanyl-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[(5-bromo-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[(5-bromo-2-propoxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C21H28BrN3O3 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCCC

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCCC

InChI

InChI=1S/C21H28BrN3O3/c1-4-7-13-28-21(26)18-9-11-20(24-23-18)25(6-3)15-16-14-17(22)8-10-19(16)27-12-5-2/h8-11,14H,4-7,12-13,15H2,1-3H3