[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H24N4O4/c1-24(21(15-22)11-7-4-8-12-21)18(26)14-29-20(27)19-17(28-2)13-25(23-19)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3