ethyl 3-[[4-(2-methylpropoxy)phenyl]amino]-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 3-[[4-(2-methylpropoxy)phenyl]amino]-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethyl 3-(4-isobutoxyanilino)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-[4-(2-methylpropoxy)anilino]-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-methylpropoxy)anilino]-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(4-isobutoxyanilino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)OCC(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)OCC(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3/c1-4-34-29(33)26-25(21-11-7-5-8-12-21)27(22-13-9-6-10-14-22)31-32-28(26)30-23-15-17-24(18-16-23)35-19-20(2)3/h5-18,20H,4,19H2,1-3H3,(H,30,32)