[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)N2CCCCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)N2CCCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4/c1-26-17-14-23(16-10-6-5-7-11-16)21-19(17)20(25)27-15-18(24)22-12-8-3-2-4-9-13-22/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3