5-bromanyl-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Openeye Name: 5-bromo-3-isopropoxy-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(4-methoxy-3-pentoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(4-methoxy-3-pentoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Traditional Name: 4-[(3-amoxy-4-methoxy-benzyl)amino]-5-bromo-3-isopropoxy-1H-pyridazin-6-one Formula: C20H28BrN3O4 MolecularWeight: 454.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C)Br)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C)Br)OC

InChI

InChI=1S/C20H28BrN3O4/c1-5-6-7-10-27-16-11-14(8-9-15(16)26-4)12-22-18-17(21)19(25)23-24-20(18)28-13(2)3/h8-9,11,13H,5-7,10,12H2,1-4H3,(H2,22,23,25)