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

Systemtic Name: 4-[(3-butoxy-4-methoxy-phenyl)methylamino]-5-chloranyl-3-(1-phenylethoxy)-1H-pyridazin-6-one Openeye Name: 4-[(3-butoxy-4-methoxy-phenyl)methylamino]-5-chloro-3-(1-phenylethoxy)-1H-pyridazin-6-one CAS Name: 4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-(1-phenylethoxy)-1H-pyridazin-6-one IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-(1-phenylethoxy)-1H-pyridazin-6-one Traditional Name: 4-[(3-butoxy-4-methoxy-benzyl)amino]-5-chloro-3-(1-phenylethoxy)-1H-pyridazin-6-one Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C24H28ClN3O4/c1-4-5-13-31-20-14-17(11-12-19(20)30-3)15-26-22-21(25)23(29)27-28-24(22)32-16(2)18-9-7-6-8-10-18/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,26,27,29)