2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]phthalazin-1-one Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H18BrN3O2/c1-14-11-20(15(2)26(14)18-9-7-17(23)8-10-18)21(27)13-25-22(28)19-6-4-3-5-16(19)12-24-25/h3-12H,13H2,1-2H3