2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)phthalazin-1-one Openeye Name: 4-benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]-4-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]phthalazin-1-one Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O2/c1-15-12-16(2)26(23-15)21(27)14-25-22(28)19-11-7-6-10-18(19)20(24-25)13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3