4-chloranyl-2-phenyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[(2,4,5-trimethoxyphenyl)methylamino]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[(2,4,5-trimethoxybenzyl)amino]pyridazin-3-one Formula: C20H20ClN3O4 MolecularWeight: 401.8435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)OC)OC

InChI

InChI=1S/C20H20ClN3O4/c1-26-16-10-18(28-3)17(27-2)9-13(16)11-22-15-12-23-24(20(25)19(15)21)14-7-5-4-6-8-14/h4-10,12,22H,11H2,1-3H3