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

Systemtic Name: 2-(4-tert-butyl-2-chloranyl-phenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 2-(4-tert-butyl-2-chloro-phenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 2-(4-tert-butyl-2-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 2-(4-tert-butyl-2-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 2-(4-tert-butyl-2-chloro-phenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O/c1-13-11-19(26-25-13)24-20-15-7-5-6-8-16(15)21(29)28(27-20)18-10-9-14(12-17(18)23)22(2,3)4/h5-12H,1-4H3,(H2,24,25,26,27)