ethyl 6-oxidanylidene-1-phenyl-4-(2-propylpentanoylamino)pyridazine-3-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1-phenyl-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 6-oxo-1-phenyl-4-(2-propylpentanoylamino)pyridazine-3-carboxylate CAS Name: 6-oxo-4-[(1-oxo-2-propylpentyl)amino]-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-phenyl-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4-(2-propylpentanoylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4/c1-4-10-15(11-5-2)20(26)22-17-14-18(25)24(16-12-8-7-9-13-16)23-19(17)21(27)28-6-3/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,22,26)