4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methylphenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methylphenyl]-2-methylphthalazin-1-one Traditional Name: 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CN4C(=CC(=N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CN4C(=CC(=N4)C)C

InChI

InChI=1S/C22H22N4O/c1-14-9-10-17(12-18(14)13-26-16(3)11-15(2)23-26)21-19-7-5-6-8-20(19)22(27)25(4)24-21/h5-12H,13H2,1-4H3