phenyl 1-[3-(4-dodecoxyphenyl)-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]benzotriazole-5-carboxylate

Systemtic Name: phenyl 1-[3-(4-dodecoxyphenyl)-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]benzotriazole-5-carboxylate Openeye Name: phenyl 1-[3-(4-dodecoxyphenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]benzotriazole-5-carboxylate CAS Name: 1-[3-(4-dodecoxyphenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]-5-benzotriazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[3-(4-dodecoxyphenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]benzotriazole-5-carboxylate Traditional Name: 1-[5-keto-3-(4-lauryloxyphenyl)-1-phenyl-2-pyrazolin-4-yl]benzotriazole-5-carboxylic acid phenyl ester Formula: C40H43N5O4 MolecularWeight: 657.80052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NN(C(=O)C2N3C4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)N=N3)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NN(C(=O)C2N3C4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)N=N3)C6=CC=CC=C6

InChI

InChI=1S/C40H43N5O4/c1-2-3-4-5-6-7-8-9-10-17-28-48-33-25-22-30(23-26-33)37-38(39(46)44(42-37)32-18-13-11-14-19-32)45-36-27-24-31(29-35(36)41-43-45)40(47)49-34-20-15-12-16-21-34/h11-16,18-27,29,38H,2-10,17,28H2,1H3