ethyl 4-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[[1-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28FN5O4 MolecularWeight: 445.487223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN5O4/c1-2-32-22(31)27-13-9-17(10-14-27)25-20(29)4-3-12-24-21(30)19-11-15-28(26-19)18-7-5-16(23)6-8-18/h5-8,11,15,17H,2-4,9-10,12-14H2,1H3,(H,24,30)(H,25,29)