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

Systemtic Name: 5-chloranyl-4-[(3-hexoxy-4-methoxy-phenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[(3-hexoxy-4-methoxy-phenyl)methylamino]-3-isopropoxy-1H-pyridazin-6-one CAS Name: 5-chloro-4-[(3-hexoxy-4-methoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[(3-hexoxy-4-methoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[(3-hexoxy-4-methoxy-benzyl)amino]-3-isopropoxy-1H-pyridazin-6-one Formula: C21H30ClN3O4 MolecularWeight: 423.9336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C)Cl)OC

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C)Cl)OC

InChI

InChI=1S/C21H30ClN3O4/c1-5-6-7-8-11-28-17-12-15(9-10-16(17)27-4)13-23-19-18(22)20(26)24-25-21(19)29-14(2)3/h9-10,12,14H,5-8,11,13H2,1-4H3,(H2,23,24,26)