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

Systemtic Name: 5-[[4-[(3-bromanyl-4-methyl-phenyl)amino]phthalazin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[4-(3-bromo-4-methyl-anilino)phthalazin-1-yl]methyl]-1H-pyridin-2-one CAS Name: 5-[[4-(3-bromo-4-methylanilino)-1-phthalazinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[4-(3-bromo-4-methylanilino)phthalazin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[4-(3-bromo-4-methyl-anilino)phthalazin-1-yl]methyl]-2-pyridone Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

InChI

InChI=1S/C21H17BrN4O/c1-13-6-8-15(11-18(13)22)24-21-17-5-3-2-4-16(17)19(25-26-21)10-14-7-9-20(27)23-12-14/h2-9,11-12H,10H2,1H3,(H,23,27)(H,24,26)