ethanol; ethyl 3-[(4-acetamidophenyl)amino]-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethanol; ethyl 3-[(4-acetamidophenyl)amino]-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethanol; ethyl 3-(4-acetamidoanilino)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-(4-acetamidoanilino)-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 3-(4-acetamidoanilino)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(4-acetamidoanilino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester; ethanol Formula: C56H54N8O7 MolecularWeight: 951.07736

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4.CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCO.CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4.CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/2C27H24N4O3.C2H6O/c2*1-3-34-27(33)24-23(19-10-6-4-7-11-19)25(20-12-8-5-9-13-20)30-31-26(24)29-22-16-14-21(15-17-22)28-18(2)32;1-2-3/h2*4-17H,3H2,1-2H3,(H,28,32)(H,29,31);3H,2H2,1H3