[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl] ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O5/c1-32-24-11-20-19-9-5-6-10-22(19)34-23(20)12-21(24)28-25(30)16-33-26(31)18-13-27-29(15-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3,(H,28,30)