4-methyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one Openeye Name: 2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one Traditional Name: 2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-phthalazin-1-one Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C16H18N4O2/c1-10(2)8-14-17-15(22-19-14)9-20-16(21)13-7-5-4-6-12(13)11(3)18-20/h4-7,10H,8-9H2,1-3H3