3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C24H20N3O4- MolecularWeight: 414.4333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])C

InChI

InChI=1S/C24H21N3O4/c1-14-8-10-17(11-9-14)27-15(2)12-20(16(27)3)21(28)13-26-23(29)19-7-5-4-6-18(19)22(25-26)24(30)31/h4-12H,13H2,1-3H3,(H,30,31)/p-1