(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H27N3O4/c1-17-5-6-18(2)22(15-17)28-23(29)12-11-21(26-28)25(31)32-16-19-7-9-20(10-8-19)24(30)27-13-3-4-14-27/h5-10,15H,3-4,11-14,16H2,1-2H3