4-(2,5-dimethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[(3-methylisoxazol-5-yl)methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[(3-methyl-5-isoxazolyl)methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[(3-methylisoxazol-5-yl)methyl]phthalazin-1-one Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=NO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=NO4)C

InChI

InChI=1S/C21H19N3O2/c1-13-8-9-14(2)19(10-13)20-17-6-4-5-7-18(17)21(25)24(22-20)12-16-11-15(3)23-26-16/h4-11H,12H2,1-3H3