butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridazine-3-carboxylate Openeye Name: butyl 6-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyridazine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)amino]pyridazine-3-carboxylic acid butyl ester Formula: C23H24BrN3O3 MolecularWeight: 470.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24BrN3O3/c1-2-3-13-29-23(28)20-10-12-22(27-26-20)25-15-18-14-19(24)9-11-21(18)30-16-17-7-5-4-6-8-17/h4-12,14H,2-3,13,15-16H2,1H3,(H,25,27)