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

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC(CC3)C(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC(CC3)C(=O)N)C4=CC=CC=C4)C

InChI

InChI=1S/C26H28N4O4/c1-17-8-9-21(18(2)14-17)24-22(15-30(28-24)20-6-4-3-5-7-20)26(33)34-16-23(31)29-12-10-19(11-13-29)25(27)32/h3-9,14-15,19H,10-13,16H2,1-2H3,(H2,27,32)