4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-phthalazin-1-one Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C21H19N3O/c1-14-8-9-15(2)24(14)17-12-10-16(11-13-17)20-18-6-4-5-7-19(18)21(25)23(3)22-20/h4-13H,1-3H3