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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H24BrN3O4/c1-3-29-22-20(19(23)21(27)25-26-22)24-14-16-9-10-17(28-2)18(13-16)30-12-11-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H2,24,25,27)