5-bromanyl-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-phenylmethoxy-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-phenylmethoxy-1H-pyridazin-6-one Openeye Name: 3-benzyloxy-5-bromo-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-phenylmethoxy-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-phenylmethoxy-1H-pyridazin-6-one Traditional Name: 3-benzoxy-5-bromo-4-[(3-butoxy-4-methoxy-benzyl)amino]-1H-pyridazin-6-one Formula: C23H26BrN3O4 MolecularWeight: 488.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC3=CC=CC=C3)Br)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C23H26BrN3O4/c1-3-4-12-30-19-13-17(10-11-18(19)29-2)14-25-21-20(24)22(28)26-27-23(21)31-15-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H2,25,26,28)