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

Systemtic Name: 5-bromanyl-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[(3-ethoxy-4-methoxy-benzyl)amino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Formula: C22H24BrN3O4 MolecularWeight: 474.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H24BrN3O4/c1-4-29-18-12-15(10-11-17(18)28-3)13-24-20-19(23)21(27)25-26-22(20)30-14(2)16-8-6-5-7-9-16/h5-12,14H,4,13H2,1-3H3,(H2,24,25,27)