[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-15(20(25)22-13-16-9-5-3-6-10-16)28-21(26)19-18(27-2)14-24(23-19)17-11-7-4-8-12-17/h4,7-8,11-12,14-16H,3,5-6,9-10,13H2,1-2H3,(H,22,25)