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

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 1-(o-tolyl)-6-oxo-4-(2-propylpentanoylamino)pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[(1-oxo-2-propylpentyl)amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-6-oxo-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-(2-propylpentanoylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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=C2C

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2C

InChI

InChI=1S/C22H29N3O4/c1-5-10-16(11-6-2)21(27)23-17-14-19(26)25(18-13-9-8-12-15(18)4)24-20(17)22(28)29-7-3/h8-9,12-14,16H,5-7,10-11H2,1-4H3,(H,23,27)