[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C28H21N3O3 MolecularWeight: 447.48464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O3/c32-26(29-25-17-9-13-20-10-7-8-16-23(20)25)19-34-28(33)24-18-31(22-14-5-2-6-15-22)30-27(24)21-11-3-1-4-12-21/h1-18H,19H2,(H,29,32)