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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C22H21N3O2 MolecularWeight: 359.42104

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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=C(ON=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=C(ON=C4C)C

InChI

InChI=1S/C22H21N3O2/c1-13-9-10-14(2)19(11-13)21-17-7-5-6-8-18(17)22(26)25(23-21)12-20-15(3)24-27-16(20)4/h5-11H,12H2,1-4H3