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

Systemtic Name: 5-bromanyl-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-ethoxy-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-ethoxy-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-ethoxy-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-ethoxy-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[(3-butoxy-4-methoxy-benzyl)amino]-3-ethoxy-1H-pyridazin-6-one Formula: C18H24BrN3O4 MolecularWeight: 426.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC)Br)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC)Br)OC

InChI

InChI=1S/C18H24BrN3O4/c1-4-6-9-26-14-10-12(7-8-13(14)24-3)11-20-16-15(19)17(23)21-22-18(16)25-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,21,23)