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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

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