ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=NN=C1NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c1-2-32-27(31)24-23(18-9-5-3-6-10-18)25(19-11-7-4-8-12-19)29-30-26(24)28-20-13-14-21-22(17-20)34-16-15-33-21/h3-14,17H,2,15-16H2,1H3,(H,28,30)