5-bromanyl-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3-isobutoxy-4-methoxy-phenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one CAS Name: 5-bromo-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[(3-isobutoxy-4-methoxy-benzyl)amino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Formula: C24H28BrN3O4 MolecularWeight: 502.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C24H28BrN3O4/c1-15(2)14-31-20-12-17(10-11-19(20)30-4)13-26-22-21(25)23(29)27-28-24(22)32-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,27,29)