[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3CCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3CCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-17-12-13-21(18(2)14-17)24-22(15-28(27-24)20-10-4-3-5-11-20)25(30)31-16-23(29)26-19-8-6-7-9-19/h3-5,10-15,19H,6-9,16H2,1-2H3,(H,26,29)