2-(2-chlorophenyl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2-chlorophenyl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone Openeye Name: 2-(2-chlorophenyl)-1-[3-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]-1-piperidyl]ethanone CAS Name: 2-(2-chlorophenyl)-1-[3-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-piperidinyl]ethanone IUPAC Name: 2-(2-chlorophenyl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone Traditional Name: 2-(2-chlorophenyl)-1-[3-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]piperidino]ethanone Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2Cl)C3=NC(=NN3)C4=CN=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC=CC=C2Cl)C3=NC(=NN3)C4=CN=CC=C4

InChI

InChI=1S/C20H20ClN5O/c21-17-8-2-1-5-14(17)11-18(27)26-10-4-7-16(13-26)20-23-19(24-25-20)15-6-3-9-22-12-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,23,24,25)