1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[3-(4-chloro-2-methyl-benzoyl)piperidino]-2-(1,2,4-triazol-1-yl)ethanone Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CN3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CN3C=NC=N3

InChI

InChI=1S/C17H19ClN4O2/c1-12-7-14(18)4-5-15(12)17(24)13-3-2-6-21(8-13)16(23)9-22-11-19-10-20-22/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3