butyl 2-[(5-bromanyl-2-propoxy-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate

Systemtic Name: butyl 2-[(5-bromanyl-2-propoxy-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Openeye Name: butyl 2-[(5-bromo-2-propoxy-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate CAS Name: 2-[(5-bromo-2-propoxyphenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromo-2-propoxyphenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Traditional Name: 2-(5-bromo-2-propoxy-benzyl)-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester Formula: C21H30BrN3O3 MolecularWeight: 452.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CN(N1)CC2=C(C=CC(=C2)Br)OCCC)NCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=CN(N1)CC2=C(C=CC(=C2)Br)OCCC)NCC

InChI

InChI=1S/C21H30BrN3O3/c1-4-7-13-28-21(26)20-18(23-6-3)10-11-25(24-20)15-16-14-17(22)8-9-19(16)27-12-5-2/h8-11,14,23-24H,4-7,12-13,15H2,1-3H3