[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NN(C(=O)C=C2)CCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NN(C(=O)C=C2)CCC

InChI

InChI=1S/C21H25N3O5/c1-4-6-18(25)22-16-9-7-15(8-10-16)20(27)14(3)29-21(28)17-11-12-19(26)24(23-17)13-5-2/h7-12,14H,4-6,13H2,1-3H3,(H,22,25)