5-(4-bromanylbutyl)-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Systemtic Name: 5-(4-bromanylbutyl)-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one Openeye Name: 5-(4-bromobutyl)-3-methyl-7-phenyl-isoxazolo[4,5-d]pyridazin-4-one CAS Name: 5-(4-bromobutyl)-3-methyl-7-phenyl-4-isoxazolo[4,5-d]pyridazinone IUPAC Name: 5-(4-bromobutyl)-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one Traditional Name: 5-(4-bromobutyl)-3-methyl-7-phenyl-isoxazolo[4,5-d]pyridazin-4-one Formula: C16H16BrN3O2 MolecularWeight: 362.22114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CC=C3)CCCCBr

Isomeric SMILES

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CC=C3)CCCCBr

InChI

InChI=1S/C16H16BrN3O2/c1-11-13-15(22-19-11)14(12-7-3-2-4-8-12)18-20(16(13)21)10-6-5-9-17/h2-4,7-8H,5-6,9-10H2,1H3