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

Systemtic Name: 4-[(1-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-[4-(2-methylphenyl)phenyl]phthalazin-1-one Openeye Name: 4-[(1-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-[4-(o-tolyl)phenyl]phthalazin-1-one CAS Name: 4-[(1-tert-butyl-5-methyl-3-pyrazolyl)amino]-2-[4-(2-methylphenyl)phenyl]-1-phthalazinone IUPAC Name: 4-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-2-[4-(2-methylphenyl)phenyl]phthalazin-1-one Traditional Name: 4-[(1-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-[4-(o-tolyl)phenyl]phthalazin-1-one Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=N3)NC5=NN(C(=C5)C)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=N3)NC5=NN(C(=C5)C)C(C)(C)C

InChI

InChI=1S/C29H29N5O/c1-19-10-6-7-11-23(19)21-14-16-22(17-15-21)33-28(35)25-13-9-8-12-24(25)27(32-33)30-26-18-20(2)34(31-26)29(3,4)5/h6-18H,1-5H3,(H,30,31,32)