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

Systemtic Name: ethanol; ethyl 3-[(4-chlorophenyl)amino]-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethanol; ethyl 3-(4-chloroanilino)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-(4-chloroanilino)-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 3-(4-chloroanilino)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(4-chloroanilino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester; ethanol Formula: C52H46Cl2N6O5 MolecularWeight: 905.86484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H20ClN3O2.C2H6O/c2*1-2-31-25(30)22-21(17-9-5-3-6-10-17)23(18-11-7-4-8-12-18)28-29-24(22)27-20-15-13-19(26)14-16-20;1-2-3/h2*3-16H,2H2,1H3,(H,27,29);3H,2H2,1H3