ethyl 5,6-diphenyl-3-[(4-propoxyphenyl)amino]pyridazine-4-carboxylate

Systemtic Name: ethyl 5,6-diphenyl-3-[(4-propoxyphenyl)amino]pyridazine-4-carboxylate Openeye Name: ethyl 5,6-diphenyl-3-(4-propoxyanilino)pyridazine-4-carboxylate CAS Name: 5,6-diphenyl-3-(4-propoxyanilino)-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-diphenyl-3-(4-propoxyanilino)pyridazine-4-carboxylate Traditional Name: 5,6-diphenyl-3-(4-propoxyanilino)pyridazine-4-carboxylic acid ethyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=NN=C(C(=C2C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=NN=C(C(=C2C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c1-3-19-34-23-17-15-22(16-18-23)29-27-25(28(32)33-4-2)24(20-11-7-5-8-12-20)26(30-31-27)21-13-9-6-10-14-21/h5-18H,3-4,19H2,1-2H3,(H,29,31)