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

Systemtic Name: 5-[[4-[(3-bromanyl-4-tert-butyl-phenyl)amino]phthalazin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[4-(3-bromo-4-tert-butyl-anilino)phthalazin-1-yl]methyl]-1H-pyridin-2-one CAS Name: 5-[[4-(3-bromo-4-tert-butylanilino)-1-phthalazinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[4-(3-bromo-4-tert-butylanilino)phthalazin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[4-(3-bromo-4-tert-butyl-anilino)phthalazin-1-yl]methyl]-2-pyridone Formula: C24H23BrN4O MolecularWeight: 463.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

InChI

InChI=1S/C24H23BrN4O/c1-24(2,3)19-10-9-16(13-20(19)25)27-23-18-7-5-4-6-17(18)21(28-29-23)12-15-8-11-22(30)26-14-15/h4-11,13-14H,12H2,1-3H3,(H,26,30)(H,27,29)