(4-phenylphenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate

Systemtic Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Openeye Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxylic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid (4-phenylphenyl) ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5)CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5)CCC#N

InChI

InChI=1S/C27H21N3O4/c28-13-4-14-30-18-23(26(29-30)21-9-12-24-25(17-21)33-16-15-32-24)27(31)34-22-10-7-20(8-11-22)19-5-2-1-3-6-19/h1-3,5-12,17-18H,4,14-16H2