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

Systemtic Name: 6-azanyl-4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)phthalazin-1-one Openeye Name: 6-amino-4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)phthalazin-1-one CAS Name: 6-amino-4-[(2-tert-butyl-5-methyl-3-pyrazolyl)amino]-2-(4-tert-butylphenyl)-1-phthalazinone IUPAC Name: 6-amino-4-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-(4-tert-butylphenyl)phthalazin-1-one Traditional Name: 6-amino-4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)phthalazin-1-one Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NN(C(=O)C3=C2C=C(C=C3)N)C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)NC2=NN(C(=O)C3=C2C=C(C=C3)N)C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H32N6O/c1-16-14-22(32(29-16)26(5,6)7)28-23-21-15-18(27)10-13-20(21)24(33)31(30-23)19-11-8-17(9-12-19)25(2,3)4/h8-15H,27H2,1-7H3,(H,28,30)