butyl 6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[1-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[1-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C26H30BrN3O3 MolecularWeight: 512.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN=C(C=C1)N(CC)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)N(CC)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30BrN3O3/c1-4-6-16-32-26(31)23-13-15-25(29-28-23)30(5-2)19(3)22-17-21(27)12-14-24(22)33-18-20-10-8-7-9-11-20/h7-15,17,19H,4-6,16,18H2,1-3H3