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

Systemtic Name: 2-[4-(2-methylpropylsulfonyl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 2-(4-isobutylsulfonylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 2-[4-(2-methylpropylsulfonyl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 2-[4-(2-methylpropylsulfonyl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 2-(4-isobutylsulfonylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C22H23N5O3S MolecularWeight: 437.51472

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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)S(=O)(=O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-14(2)13-31(29,30)17-10-8-16(9-11-17)27-22(28)19-7-5-4-6-18(19)21(26-27)23-20-12-15(3)24-25-20/h4-12,14H,13H2,1-3H3,(H2,23,24,25,26)