6-[[4-[(3-bromanyl-4-methyl-phenyl)amino]phthalazin-1-yl]methyl]-3H-pyridin-4-one

Systemtic Name: 6-[[4-[(3-bromanyl-4-methyl-phenyl)amino]phthalazin-1-yl]methyl]-3H-pyridin-4-one Openeye Name: 6-[[4-(3-bromo-4-methyl-anilino)phthalazin-1-yl]methyl]-3H-pyridin-4-one CAS Name: 6-[[4-(3-bromo-4-methylanilino)-1-phthalazinyl]methyl]-3H-pyridin-4-one IUPAC Name: 6-[[4-(3-bromo-4-methylanilino)phthalazin-1-yl]methyl]-3H-pyridin-4-one Traditional Name: 6-[[4-(3-bromo-4-methyl-anilino)phthalazin-1-yl]methyl]-3H-pyridin-4-one 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=CC(=O)CC=N4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC(=O)CC=N4)Br

InChI

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