[2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H26N4O4/c1-18-16-23(26(34)17-37-29(36)25-15-14-21-10-8-9-13-24(21)30-25)19(2)32(18)27-20(3)31(4)33(28(27)35)22-11-6-5-7-12-22/h5-16H,17H2,1-4H3