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

Systemtic Name: 6-bromanyl-2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 6-bromo-2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 6-bromo-2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 6-bromo-2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 6-bromo-2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C22H22BrN5O/c1-13-11-19(26-25-13)24-20-18-12-15(23)7-10-17(18)21(29)28(27-20)16-8-5-14(6-9-16)22(2,3)4/h5-12H,1-4H3,(H2,24,25,26,27)