(phenylmethyl) 1-ethyl-6-oxidanylidene-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-ethyl-6-oxidanylidene-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate Openeye Name: benzyl 1-ethyl-6-oxo-3-phenyl-5-(5-quinolylamino)pyridazine-4-carboxylate CAS Name: 1-ethyl-6-oxo-3-phenyl-5-(5-quinolinylamino)-4-pyridazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate Traditional Name: 1-ethyl-6-keto-3-phenyl-5-(5-quinolylamino)pyridazine-4-carboxylic acid benzyl ester Formula: C29H24N4O3 MolecularWeight: 476.52586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C29H24N4O3/c1-2-33-28(34)27(31-24-17-9-16-23-22(24)15-10-18-30-23)25(26(32-33)21-13-7-4-8-14-21)29(35)36-19-20-11-5-3-6-12-20/h3-18,31H,2,19H2,1H3