5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-(1-phenylethoxy)-1H-pyridazin-6-one Traditional Name: 5-bromo-3-(1-phenylethoxy)-4-(veratrylamino)-1H-pyridazin-6-one Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=NNC(=O)C(=C2NCC3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=NNC(=O)C(=C2NCC3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C21H22BrN3O4/c1-13(15-7-5-4-6-8-15)29-21-19(18(22)20(26)24-25-21)23-12-14-9-10-16(27-2)17(11-14)28-3/h4-11,13H,12H2,1-3H3,(H2,23,24,26)