(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O4/c1-2-3-14-24-19(25)11-10-18(22-24)21(27)28-15-16-6-8-17(9-7-16)20(26)23-12-4-5-13-23/h6-11H,2-5,12-15H2,1H3