[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C23H20N4O4/c1-14-8-9-15(2)27(14)25-21(28)16-10-12-17(13-11-16)31-23(30)20-18-6-4-5-7-19(18)22(29)26(3)24-20/h4-13H,1-3H3,(H,25,28)