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

Systemtic Name: butyl 6-[(5-bromanyl-2-butoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[(5-bromo-2-butoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-butoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-butoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[(5-bromo-2-butoxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C22H30BrN3O3 MolecularWeight: 464.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CN(CC)C2=NN=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CN(CC)C2=NN=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C22H30BrN3O3/c1-4-7-13-28-20-11-9-18(23)15-17(20)16-26(6-3)21-12-10-19(24-25-21)22(27)29-14-8-5-2/h9-12,15H,4-8,13-14,16H2,1-3H3