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

Systemtic Name: butyl 2-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Openeye Name: butyl 2-[1-(2-benzyloxy-5-bromo-phenyl)ethyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate CAS Name: 2-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Traditional Name: 2-[1-(2-benzoxy-5-bromo-phenyl)ethyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester Formula: C26H32BrN3O3 MolecularWeight: 514.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CN(N1)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=CN(N1)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

InChI

InChI=1S/C26H32BrN3O3/c1-4-6-16-32-26(31)25-23(28-5-2)14-15-30(29-25)19(3)22-17-21(27)12-13-24(22)33-18-20-10-8-7-9-11-20/h7-15,17,19,28-29H,4-6,16,18H2,1-3H3