ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H22FN5O3S MolecularWeight: 443.494483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O3S/c1-2-30-21(29)26-10-8-15(9-11-26)23-20(28)18-24-19(17-7-4-12-31-17)27(25-18)16-6-3-5-14(22)13-16/h3-7,12-13,15H,2,8-11H2,1H3,(H,23,28)