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

Systemtic Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2H-phthalazin-1-one Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O/c1-13-7-8-14(2)23(13)16-11-9-15(10-12-16)19-17-5-3-4-6-18(17)20(24)22-21-19/h3-12H,1-2H3,(H,22,24)