4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-propan-2-ylphenyl)phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-propan-2-ylphenyl)phthalazin-1-one Openeye Name: 2-(4-isopropylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-propan-2-ylphenyl)-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-propan-2-ylphenyl)phthalazin-1-one Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-p-cumenyl-phthalazin-1-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H21N5O/c1-13(2)15-8-10-16(11-9-15)26-21(27)18-7-5-4-6-17(18)20(25-26)22-19-12-14(3)23-24-19/h4-13H,1-3H3,(H2,22,23,24,25)